bluuebunny/crossref_metadata_2025_split huggingface dataset:
Druggability Evaluation of the Neuron Derived Orphan Receptor (NOR‐1) Reveals Inverse NOR‐1 Agonists
Authors: Zaienne Daniel , Arifi Silvia , Marschner Julian A. , Heering Jan , Merk Daniel 
Published: June 2022

AbstractThe neuron derived orphan receptor (NOR‐1, NR4A3) is among the least studied nuclear receptors. Its physiological role and therapeutic potential remain widely elusive which is in part due to the lack of chemical tools that can directly modulate NOR‐1 activity. To probe the possibility of pharmacological NOR‐1 modulation, we have tested a drug fragment library for NOR‐1 activation and repression. Despite low hit‐rate (<1 %), we have obtained three NOR‐1 ligand chemotypes one of which could be rapidly expanded to an analogue comprising low micromolar inverse NOR‐1 agonist potency and altering NOR‐1 regulated gene expression in a cellular setting. It confirms druggability of the transcription factor and may serve as an early tool to assess the role and potential of NOR‐1.
Calcium‐binding proteins typify the dopaminergic neuronal subtypes in the ventral tegmental area of zebra finch,Taeniopygia guttata
Authors: Mitra Saptarsi , Basu Sumela , Singh Omprakash , Srivastava Abhinav , Singru Praful S. 
Published: June 2022

AbstractCalcium‐binding proteins (CBPs) regulate neuronal function in midbrain dopamine (DA)‐ergic neurons in mammals by buffering and sensing the intracellular Ca2+, and vesicular release. In birds, the equivalent set of neurons are important in song learning, directed singing, courtship, and energy balance, yet the status of CBPs in these neurons is unknown. Herein, for the first time, we probe the nature of CBPs, namely, Calbindin‐, Calretinin‐, Parvalbumin‐, and Secretagogin‐expressing DA neurons in the ventral tegmental area (VTA) and substantia nigra (SN) in the midbrain of zebra finch,Taeniopygia guttata. qRT‐PCR analysis of ventral midbrain tissue fragment revealed higher Calbindin‐ and Calretinin‐mRNA levels compared to Parvalbumin and Secretagogin. Application of immunofluorescence showed CBP‐immunoreactive (‐i) neurons in VTA (anterior [VTAa], mid [VTAm], caudal [VTAc]), SN (compacta [SNc], and reticulata [SNr]). Compared to VTAa, higher Calbindin‐ and Parvalbumin‐immunoreactivity (‐ir), and lower Calretinin‐ir were observed in VTAm and VTAc. Secretagogin‐ir was highly localized to VTAa. In SN, Calbindin‐ and Calretinin‐ir were higher in SNc, SNr was Parvalbumin enriched, and Secretagogin‐ir was not detected. Weak, moderate, and intense tyrosine hydroxylase (TH)‐i VTA neurons were demarcated as subtypes 1, 2, and 3, respectively. While subtype 1 TH‐i neurons were neither Calbindin‐ nor Calretinin‐i, ∼80 and ∼65% subtype 2 and ∼30 and ∼45% subtype 3 TH‐i neurons co‐expressed Calbindin and Calretinin, respectively. All TH‐i neuronal subtypes co‐expressed Parvalbumin with reciprocal relationship with TH‐ir. We suggest that the CBPs may determine VTA DA neuronal heterogeneity and differentially regulate their activity inT. guttata.
Synthesis and Improved Photoluminescent Properties and Stability of Bromine‐Rich CsPbBr3 Nanocrystals Via using CTAB as Additive
Authors: Chi Shaohua , Yang Shuo , Sun Yansen , Pang Zhenyu , Sun Xiaoxu , Fan Lin , Wang Fengyou , Liu Xiaoyan , Wei Maobin , Yang Jinghai , Yang Nannan , Yang Lili 
Published: June 2022

AbstractAlthough CsPbBr3 nanocrystals (NCs) show excellent optoelectronic properties, their stability greatly limits their potential applications due to the ionicity. Stable bromine‐rich CsPbBr3 nanocrystals (NCs) are achieved by the thermal injection method, which includes adding cetyltrimethylammonium bromide (CTAB) to a cesium oleate precursor solution. The CTAB as a ligand provides strong binding to the NC surface to effectively passivate the surface defects, and most importantly helps to realize the formation of bromine‐rich CsPbBr3 NCs. The obtained bromine‐rich CsPbBr3 NCs show higher photoluminescence quantum yields (PLQYs) and enhanced moisture and UV illumination stability. These results provide a simple strategy to synthesize bromine‐rich CsPbBr3 NCs, which can be promising for integrating into the synthesize technique of perovskite optoelectronic devices.
Identifying contamination versus ingestion in hair testing, with cocaine as example
Authors: Hill Virginia A. , Schaffer Michael I. , Paulsen Ryan B. , Stowe Gary Neil 
Published: June 2022

AbstractWhen developing a procedure to identify external contamination of hair as opposed to drug that is in hair from ingestion, there are components of the process that must be considered in the final method. A method that does not achieve the objective may be missing one or more of these elements: choice of solvent, a drug‐binding agent, ratio of solvent to hair, temperature, time, intactness of the hair, and establishing, for the chosen method, a criterion based on the drug contents of the wash and hair that indicates the hair may be contaminated.
Patterns and drivers of Nothobranchius killifish diversity in lowland Tanzania
Authors: Reichard Martin , Janáč Michal , Blažek Radim , Žák Jakub , Alila Okinyi David , Polačik Matej 
Published: June 2022

AbstractTemporary pools are seasonal wetland habitats with specifically adapted biota, including annual Nothobranchius killifishes that survive habitat desiccation as diapausing eggs encased in dry sediment. To understand the patterns in the structure of Nothobranchius assemblages and their potential in wetland conservation, we compared biodiversity components (alpha, beta, and gamma) between regions and estimated the role and sources of nestedness and turnover on their diversity. We sampled Nothobranchius assemblages from 127 pools across seven local regions in lowland Eastern Tanzania over 2 years, using dip net and seine nets. We estimated species composition and richness for each pool, and beta and gamma diversity for each region. We decomposed beta diversity into nestedness and turnover components. We tested nestedness in three main regions (Ruvu, Rufiji, and Mbezi) using the number of decreasing fills metric and compared the roles of pool area, isolation, and altitude on nestedness. A total of 15 species formed assemblages containing 1–6 species. Most Nothobranchius species were endemic to one or two adjacent regions. Regional diversity was highest in the Ruvu, Rufiji, and Mbezi regions. Nestedness was significant in Ruvu and Rufiji, with shared core (N. melanospilus, N. eggersi, and N. janpapi) and common (N. ocellatus and N. annectens) species, and distinctive rare species. Nestedness apparently resulted from selective colonization rather than selective extinction, and local species richness was negatively associated with altitude. The Nothobranchius assemblages in the Mbezi region were not nested, and had many endemic species and the highest beta diversity driven by species turnover. Overall, we found unexpected local variation in the sources of beta diversity (nestedness and turnover) within the study area. The Mbezi region contained the highest diversity and many endemic species, apparently due to repeated colonizations of the region rather than local diversification. We suggest that annual killifish can serve as a flagship taxon for small wetland conservation.
Move, migrate, or tolerate: Quantifying three tactics for cold‐water fish coping with warm summers in a large river
Authors: Barrett Hannah S. , Armstrong Jonathan B. 
Published: June 2022

AbstractMainstem rivers are important for provisioning cold‐water fisheries and often support fluvial life histories that grow much larger than resident counterparts in tributaries. However, mainstem rivers are also warmer than tributaries during summer and more tightly coupled to regional climate. A key challenge is to understand how fluvial life histories cope with summer temperatures in mainstem rivers, both now and in a warmer future. Here, we outline three options: tolerance, exploitation of cool microhabitats, or migration to cooler tributaries. We quantified the relative prevalence of these responses in the wild using a Lagrangian approach. Specifically, we used temperature transmitting radio‐tags to track coastal cutthroat trout (Oncorhynchus clarkii clarkii) habitat use across 100 km of the Willamette River, which exhibited a maximum temperature of 22°C. We found that 89.8% of fish stayed in the mainstem and tolerated high temperatures; 6.5% of the population exploited cool floodplain alcoves; and 3.7% moved into a cool tributary, the McKenzie River. We also found that on average, larger fish opted to use cold‐water refuge habitats rather than tolerate mainstem river temperatures. The expression of all three coping tactics suggests this population has adaptive capacity to respond to future warming. More work is needed to understand how the relative expression of these tactics change depending on the severity of heat stress or nontemperature attributes of mainstem, floodplain, and tributary habitat.
Low‐cost Trimetallic Ni‐Fe‐Mn Oxides/(Oxy)hydroxides Nanosheets Array for Efficient Oxygen Evolution Reaction
Authors: Chen Qi , Sheng Xiangxiang , Sun Yue , Yu Kaishan , Cheng Yafei , Geng Hongbo , Shen Junyu , Zhang Qijian , Liu Jinxuan 
Published: June 2022

AbstractThe development of low‐cost, efficient, and stable water oxidation electrocatalyst is of great importance for hydrogen production. Herein, we report an approach to convert commercial stainless steel plate (SSP) into trimetallic Ni‐Fe‐Mn oxides/hydroxides nanosheets (NiFeMnOxHy‐SSP) as an oxygen evolution reaction (OER) electrode. The NiFeMnOxHy‐SSP exhibits excellent OER performance with an overpotential of 232 mV at 10 mA cmgeo−2, a Tafel slope of 37.6 mV dec−1, and long‐term stability (100 h) in 1.0 M KOH aqueous solution. The electrochemical results reveal that the Mn plays a significant role in reducing overpotential and improving stability at 500 mA cmgeo−2 for OER. This work provides a facile way to fabricate OER electrodes by surface modification of SSP towards industrial water splitting.
A Green Multicomponent Domino Mannich‐Michael Reaction to Synthesize Novel Naphthoquinone‐Polyphenols with Antiproliferative and Antioxidant Activities
Authors: Venturini Filho Eclair , Antoniazi Mariana K. , Ferreira Rafael Q. , dos Santos Gabriel F. S. , Pessoa Claudia , Guimarães Celina J. , Vieira Neto José B. , Silva Artur M. S. , Greco Sandro J. 
Published: June 2022

AbstractThis study reports on the one‐step, green, catalyst‐free synthesis of new naphthoquinone‐polyphenols through an innovative method using the multicomponent domino Mannich–Michael reaction in the lawsone. After optimized condition reactions, twelve novel naphthoquinone polyphenols were synthesized with good yields. The polyphenols were tested on four cancer cell lines (HCT116, PC3, HL60, and SNB19), in which the best results showed antiproliferative activity with IC50 of 25.83–47.95 μM. Additionally, we used the CRAC assay to quantify the antioxidant capacity of each compound and determined a hierarchy based on the Trolox equivalent values.
Synthesis of Ag@carbonized Polymer Dots and their Electrochemical Sensing of miRNA
Authors: Zhang Qi , Guo Zhihui , Zheng Xingwang 
Published: June 2022

AbstractPolyethyleneimine (PEI) is a cationic polymer with a lot of amino groups in its molecular structure that is secure, sterile, and biocompatible. However, it is difficult for PEI molecules to be directly applied in electroanalysis due to their poor electroactivity. Herein, the PEI‐based carbonized polymer nanodots (CPDs) with core‐shell structure were prepared by hydrothermal method using PEI as the precursors. The results showed that the as‐prepared PEI‐based CPDs can not only exhibit the unique properties of carbon nanodots but also inherit the properties of PEI. Subsequently, based on the strong coordination interaction between the abundant amino groups on the surface of PEI and silver ions, the electroactive Ag@carbonized polymer dots (Ag@CPDs) were prepared. Furthermore, to investigate the electrochemical behaviors and application of Ag@CPDs, the DNA molecule (double‐stranded and single‐stranded DNA) was taken as an example. It was found that the interaction of DNA with Ag@CPDs had a significant influence on the current intensity of Ag@CPDs. Based on this phenomenon, a sensitive electrochemical technique for miRNA detection was established and effectively employed to detect miRNA in human serum samples based on the discriminating effect of Ag@CPDs towards ssDNA probes and ssDNA probe/miRNA complex (dsDNA).
A new imaging platform (iScreen) allows for the concurrent assessment of micronucleus induction and genotoxic mode of action in human A375 cells
Authors: Sun Xiaowen , Rubitski Elizabeth , Spellman Richard A. , Engel Maria , Schuler Maik 
Published: June 2022

AbstractGenotoxicity testing guidelines require the assessment of the clastogenic and aneugenic potential of compounds. While in vitro micronucleus assays detect both types of endpoints, it requires labor‐intensive microscopic scoring and does not discriminate between the two modes of actions. Here, we present a novel high‐content imaging platform in A375 human cells that addresses the need for rapid scoring while providing additional mechanistic information. We evaluated the new platform with 12 compounds, three compounds from each mechanistic class (clastogen, aneugen tubulin binder, aneugen aurora inhibitor, and nongenotoxicant) following 4‐ and 24‐h compound treatments. The approach we developed is first discriminating between genotoxicant and nongenotoxicant using an image analysis algorithm to quantify micronucleus induction below a 60% cytotoxicity cutoff. Then it uses centromere protein A (CENPA) staining for the genotoxic compounds to discriminate between aneugens and clastogens. Lastly, we use phosphorylated histone H2AX Ser139 (γH2AX) staining to confirm clastogenicity and changes in phosphorylated histone 3 Ser10 (pH 3) and increases in polyploidy in mitotic cells to discriminate between aneugens that bind tubulin from those that affect aurora kinases. All compounds were correctly classified, and we showed by using benchmark dose–response analysis that the imaging platform in A375 cells is at least as sensitive as the MicroFlow® assay in TK6 cells for genotoxicant but appears to be more specific for the nongenotoxicants. A detailed comparison of the cell lines and a more comprehensive validation with a much larger compound set, predictive and dose–response modeling will be presented in the future.
Comparative analysis of hybrid renewable energy systems based on concentrating solar and biomass technologies forFaro‐Poli, Cameroon
Authors: Biboum Alain C. , Yilanci Ahmet , Mouangue Ruben 
Published: June 2022

AbstractIn this study, three configurations of hybrid renewable energy systems (HRES) consisting of concentrating solar and biomass technologies are investigated for Faro‐Poli, Cameroon. The HRES configurations selected are Linear Fresnel reflectors combined with biomass‐fired technology (HRES1), parabolic trough collectors combined with biomass–fired technology (HRES2) and solar tower combined with biomass‐fired technology (HRES3). The three HRES alternatives are compared by using a multi‐criteria decision making (MCDM) method, Analytic Hierarchy Process combined with the Technique for Order Preference by Similarity to Ideal Solution (AHP‐TOPSIS). In the comparative analysis of the HRES alternatives, social/environmental constraints, thermodynamic laws and technical parameters are used as criteria for the MCDM method. Average attribute weight values obtained are 0.305, 0.647, and 0.667 for HRES1, HRES2, and HRES3, respectively. Further, the relative closeness curve (CC) for HRES3 is closest to the unity curve for the financial, technological and economic criteria. In conclusion, it is found that HRES3 is the best option among the other HRES alternatives based on their performance scores.
Full‐scale simulation of a nearly depleted gas field in South Africa for carbon utilisation and storage
Authors: Saffou Eric , Raza Arshad , Gholami Raoof , Aci Ciriako , Donker Jan van Bever , Salem Sofyan , Zimmermann Udo , Opuwari Mimonitu , Croukamp Leon , Elingou Walter Romaric , Chatterjee Tapas , Manzi Musa S.D. 
Published: June 2022

AbstractEnhanced gas recovery (EGR) is a recognised CO2 utilisation technique that can reduce the cost of carbon storage and improve its economic feasibility. Although there are many studies on the potential of depleted gas fields for CO2 storage, there has not been a comprehensive full‐scale study that can analyse different aspects of carbon utilisation together with the potential of storage, from reservoir characterisation to modelling and economic evaluation. The aim of this study is to develop a benchmark for assessing the technical and economic feasibility of carbon utilisation and storage in abandoned and nearly depleted gas fields. A depleted gas field from the Bredasdorp Basin in South Africa was selected for CO2‐EGR and storage, given the availability of data and infrastructure. The reservoir of interest is divided into compartments, with this study focusing exclusively on compartment C1. The gas in place (Gi) in compartment C1 was 5.8E+08 MSCF, which was reduced to 3.33E+08 MSCF at the end of the primary production phase. The results obtained indicated that the gas reservoir is very heterogeneous, and a recovery of 20% can be achieved if the injection and production rates are 500 and 3000 MSCF/day, respectively. The amount of CO2 injected after 71 years was about 7.78E+07 MSCF. It was shown that the CO2 in this field can be injected for 71 years without causing problems with the integrity of the reservoir. The economic model was built assuming a project duration of 10 years. The model shows that the total cost of carbon capture, transport and storage is higher than the total revenue for 8 years of natural gas utilisation, which means that the amount of gas recovered from compartment C1 of the reservoir could not offset the cost of CCUS. It is recommended that additional data be collected for the C2 compartment, the carbon capture processes at the Mossel Bay GTL plant, and pipeline transportation to reduce the uncertainty of the proposed economic model. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
Risk factors for hippocampal cavities in a marginally housed population
Authors: Cheng Alex Y. T. , Stubbs Jacob L. , Barr Alasdair M. , Gicas Kristina M. , Su Wayne , Thornton Allen E. , Lang Donna J. , Hamzah Yasmin , Leonova Olga , MacEwan William G. , Rauscher Alexander , Honer William G. , Panenka William J. 
Published: June 2022

AbstractCavities in the hippocampus are morphological variants of uncertain significance. Aberrant neurodevelopment along with vascular and inflammatory etiologies have been proposed. We sought to characterize these cavities and their potential risk factors in a marginally housed population, with high rates of viral infection, addiction, and mental illness. (1) The volume of hippocampal cavities (HCavs) is greater in this highly multimorbid population compared to the general population. (2) Conventional vascular risk factors such as greater age and systolic blood pressure are associated with higher HCav volume. (3) Nonprescribed substance‐related risk factors such as stimulant use or dependence, and smoking are associated with increased HCav volume independent of vascular risk factors. This is a retrospective analysis of an ongoing prospective study. We analyzed baseline data, including medical history, physical exam, psychiatric diagnosis, and MRI from a total of 375 participants. Hippocampal cavities were defined as spaces isointense to CSF on T1 MRI sequences, bounded on all sides by hippocampal tissue, with a volume of at least 1 mm3. Risk factors were evaluated using negative binomial multiple regression. Stimulant use was reported by 87.3% of participants, with stimulant dependence diagnosed in 83.3% of participants. Prevalence of cavities was 71.6%, with a mean total bilateral HCav volume of 13.89 mm3. On average, a 1 mmHg greater systolic blood pressure was associated with a 2.17% greater total HCav volume (95% CI = [0.57%, 3.79%], p = .0076), while each cigarette smoked per day trended toward a 2.69% greater total HCav volume (95% CI = [−0.87%, 5.54%], p = .058). A diagnosis of stimulant dependence was associated with a 95.6% greater total HCav volume (95% CI = [5.39%, 263.19%], p = .0335). Hypertension and diagnosis of stimulant dependence were associated with a greater total volume of HCav.
The impact of plants on fine sediment storage within the active channels of gravel‐bed rivers: A preliminary assessment
Authors: Gurnell Angela M. , Bertoldi Walter 
Published: June 2022

AbstractThe role of aquatic and riparian vegetation in driving morphodynamics of rivers is being increasingly recognized across all river types. Here, we focus on gravel‐bed rivers, where the ability of vegetation to influence morphodynamics depends upon the retention and stabilization of predominantly sand and finer sediments to build landforms within the active channel. One aspect of such interactions among vegetation, river flows and transported sediments that has received little research attention is their contribution to within‐channel storage of fine sediment as a potentially important component of the fine sediment budget of river reaches and catchments. In this article, we assemble some preliminary estimates of the fine sediments retained by vegetation across the active channels of four gravel‐bed rivers (12 river reaches) representing a wide range in river planform (near‐straight, meandering, braided), width (6–800 m), gradient (0.0008–0.004) and Q2 flood (2–1100 m3 s−1), and including reaches where submerged and emergent macrophytes and riparian trees and shrubs act as physical ecosystem engineers. Our results indicate that vegetation can retain sizeable quantities of fine sediment, ranging from 480 to >3000 kg m−2 in emergent vegetation‐engineered landforms, equivalent to 20–1000 kg m−2 when averaged across the entire active channel area. Vegetation retains virtually all the fine sediments stored on the bed surface of these active channels, increasing from 78% in the lowest energy to 100% in the highest energy river reaches investigated, with major differences in the locations of these vegetated fine sediment stores according to river planform style and unit stream power. These preliminary estimates suggest that fine sediment retention and storage by vegetation is potentially an important component of within‐channel sediment budgets as well as contributing to the hydrological, geomorphological and ecological functioning of rivers.