bluuebunny/crossref_metadata_2025_split huggingface dataset:
Insight into the Effects of Pd Single-atom Particles in the Activation of the Carbon-Chloride Bond
Authors: Huang Jinghan , Liu Rui 
Published: July 2023

Abstract
Palladium (Pd) shows high activity in a variety of catalysis reactions that refer to the activation of the carbon-halogenation bond, and single-atom Pd catalysts have received significant attention as new technology. Nevertheless, there is a huge knowledge gap regarding which Pd sites could form highly reactive centers. It is unclear whether single-atom Pd sites are active in this process or not. In this study, we synthesized Pd/TiO2 nanosheets with Pd loadings of 1%, 5%, and 10% and designed single atom Pd sites and Pd nanoparticles on similar substrates. A scanning transmission electron microscope was used to characterize the synthesized Pd catalysts. As a catalyst, Pd/TiO2 featuring Pd NPs showed high activity in activating the carbon-halogen bond in the activation of carbon-chloride bond, whereas Pd/TiO2 with single Pd atoms showed very low activity in this pros. Accordingly, our results demonstrate that the activation of carbon-halogen bonds cannot be catalyzed by the single-atom Pd sites and emphasize the significance of the ensemble effect in determining the activity of Pd sites.
Study on Enhanced Magnetostriction in (x)PbZr0.52Ti0.48O3-(1-x)NiFe2O4 Composites by Magnetoelectric Effect
Authors: Lu Jiongchen , Shi Zhenhua 
Published: July 2023

Abstract
Magnetoelectric composites (x)PbZr0.52Ti0.48O3(PZT)-(1-x)NiFe2O4 (NFO) with x values of 0.15, 0.30, 0.45, 0.55, 0.75, and 0.85 mol% were obtained by traditional solid phase reaction. The measured magnetic and magnetostriction properties are strongly dependent upon the molar fraction (1-x) of the NFO in the composites. The maximum magnetostriction coefficient of -52.4 ppm was observed in 0.3PZT-0.7NFO composite ceramic. All the magnetostriction in the composites is larger than the reported values. The larger magnetostriction would result from the magnetoelectric (ME) effect of the composites. We propose a model of the magnetostriction within the composites consisting of strain and polarization. The relationship between the ME effect and magnetostriction is discussed in the qualitative features of this model. This magnetoelectric composite material maintains a strong magnetostrictive effect, which can be used in multifunctional sensors. It will provide new ideas for the design of multifunctional sensors in the future.
Study on Preparation and Application of Banana Fiber-Based Composites
Authors: Fan Yuxin 
Published: July 2023

Abstract
Banana fiber is a natural fiber that has gained popularity as an eco-friendly product because it is practical, long-lasting, and biodegradable. The primary source of banana fiber is the stalk, which is an agricultural waste that is typically discarded in a careless way that harms the environment. As a result, a major topic today is how to properly utilize the value of banana fiber and turn it into a treasure. In this exploration, experts have accumulated new information on the examination and utilization of banana fiber. The paper focuses on different composites based on banana fiber, including hybrid fiber composites, thermosetting resin composites, and reinforced thermoplastic polymer composites, which can be synthesized by blending and compounding techniques and exhibit high elasticity, good tensile strength, and good impact resistance. Based on this, banana fiber composites can be used in applications, such as home textiles and household products, where they have good water absorption and abrasion resistance.
Relationship Between Essential Hypertension and Single Nucleotide Polymorphism of Apolipoprotein E Gene in Han, Miao, and Buyi Populations in Guizhou
Authors: Li Ruichao , Song Juhui , Zhao Ansu , Diao Xiaoyan , Zhang Ting , Guan Zhizhong , Wang Chanjuan , He Yan 
Published: July 2023

Abstract

Background
To investigate the correlation between single nucleotide polymorphism (SNP) of human Apolipoprotein E (ApoE) gene and essential hypertension (EH) in Han, Miao, and Buyi populations in Guizhou.

Methods
A case–control study was conducted. A total of 343 patients with EH and 335 healthy controls were selected from Leishan Miao, Libo Buyi, and Guiyang Han populations in Guizhou. The clinical data and biochemical indicators including age, gender, height, weight, fasting blood glucose, cholesterol, and triglyceride were collected. The t test or chi-square test was used to compare the differences of clinical data and biochemical indexes between the 2 groups. Sequenom MassARRAY was used to detect genotype of 5 SNP (rs7259620, rs440446, rs769449, rs1065853, and rs439401) and kompetitive allele-specific PCR (KASP) was used to detect 2 SNP (rs429358 and rs7412) of ApoE gene. Logistic regression was used to analyze the genetic relationship between ApoE gene polymorphisms and EH in Guizhou populations.

Results
Age, overweight, and obesity were independent risk factors for EH in Guizhou populations. Fasting blood glucose and triacylglycerol are independent risk factors for EH in Guizhou Han population. In the Miao and Buyi populations in Guizhou, the correlation between EH and the studied SNP was not statistically significant. In the Han population, the distribution of rs439401 allele and genotype between EH group and control group was significantly different (χ2 = 6.438, P = 0.011; χ2 = 6.389, P = 0.041). Compared with the TT or TC genotype, the genotype CC increased the risk of EH (OR = 2.164, 95% CI 1.035–4.526, P = 0.040). Compared with haplotype G-G-T (rs7259620–rs1065853–rs439401), haplotype G-G-C reduced the risk of EH in Han population (OR = 0.465, 95% CI 0.263–0.824, P = 0.008). Multifactor dimensionality reduction analysis results showed that rs440446, rs429358, and rs7412 had an interaction effect on the occurrence of EH in Miao population (χ2 = 10.012, P = 0.002); rs7259620, rs1065853, and rs439401 had an interaction effect on the occurrence of EH in Buyi population (χ2 = 3.972, P = 0.046); rs7259620, rs440446, and rs439401 had an interaction effect on the occurrence of EH in Han population (χ2 = 10.155, P = 0.001).

Conclusions
The rs439401 of ApoE gene and the haplotype GGC (rs7259620–rs1065853–rs439401) may be associated with the occurrence of EH in Guizhou Han population.
Cytocipher determines significantly different populations of cells in single-cell RNA-seq data
Authors: Balderson Brad , Piper Michael , Thor Stefan , Bodén Mikael 
Published: July 2023

Abstract

Motivation
Identification of cell types using single-cell RNA-seq is revolutionizing the study of multicellular organisms. However, typical single-cell RNA-seq analysis often involves post hoc manual curation to ensure clusters are transcriptionally distinct, which is time-consuming, error-prone, and irreproducible.

Results
To overcome these obstacles, we developed Cytocipher, a bioinformatics method and scverse compatible software package that statistically determines significant clusters. Application of Cytocipher to normal tissue, development, disease, and large-scale atlas data reveals the broad applicability and power of Cytocipher to generate biological insights in numerous contexts. This included the identification of cell types not previously described in the datasets analysed, such as CD8+ T cell subtypes in human peripheral blood mononuclear cells; cell lineage intermediate states during mouse pancreas development; and subpopulations of luminal epithelial cells over-represented in prostate cancer. Cytocipher also scales to large datasets with high-test performance, as shown by application to the Tabula Sapiens Atlas representing &gt;480 000 cells. Cytocipher is a novel and generalizable method that statistically determines transcriptionally distinct and programmatically reproducible clusters from single-cell data.

Availability and implementation
The software version used for this manuscript has been deposited on Zenodo (https://doi.org/10.5281/zenodo.8089546), and is also available via github (https://github.com/BradBalderson/Cytocipher).
Energy budgets of captive Chinese pangolins (Manis pentadactyla)
Authors: Yan Hongmei , An Fuyu , Liu Quansheng , Chi Qingsheng , Wang Kai , Xu Xuelin , Kuang Yingjie , Zhang Zhidong , Hua Yan 
Published: July 2023

AbstractThe Chinese pangolin is an endangered species, and ex situ conservation and captive rescue are important conservation measures. This requires reliable information on nutritional energy requirements and expenditure characteristics. However, we lack sufficient knowledge of their energy physiology to determine their energy requirements for maintenance and growth. An open-flow respirometry system was used to measure the resting metabolic rate (RMR) and the daily energy expenditure (DEE) of Chinese pangolins (Manis pentadactyla), and the dietary digestive energy was measured. The average RMR in Chinese pangolins was 3.23 ml O2 kg−1 min−1 at an ambient temperature (Ta) of 24.5–30°C, which was only 73.0% of the expected value based on body mass (BM). The average DEE values were 744.9 kJ day−1 in animals with BM &gt;3 kg and 597.3 kJ day−1 in those with BM &lt;3 kg, which were only 52.4% and 60.6% of the predicted values, respectively. The RMR and DEE levels of the Chinese pangolin were lower than those of similar-sized eutherian mammals and close to those of anteaters. These characteristics suggest that the Chinese pangolin has a low demand for energy in its diet. Although metabolic level data alone cannot be used to calculate the energy requirements of each Chinese pangolin, we believe they can provide a tangible reference for the relocation of Chinese pangolins. These results provide a scientific basis for future research on the physiology and ecology of endangered wildlife such as the Chinese pangolin.
APDB: a database on air pollutant characterization and similarity prediction
Authors: Viesi Eva , Sardina Davide Stefano , Perricone Ugo , Giugno Rosalba 
Published: July 2023

Abstract
The World Health Organization estimates that 9 out of 10 people worldwide breathe air containing high levels of pollutants. Long-term and chronic exposure to high concentrations of air pollutants is associated with deleterious effects on vital organs, including increased inflammation in the lungs, oxidative stress in the heart and disruption of the blood–brain barrier. For this reason, in an effort to find an association between exposure to pollutants and the toxicological effects observable on human health, an online resource collecting and characterizing in detail pollutant molecules could be helpful to investigate their properties and mechanisms of action. We developed a database, APDB, collecting air-pollutant-related data from different online resources, in particular, molecules from the US Environmental Protection Agency, their associated targets and bioassays found in the PubChem chemical repository and their computed molecular descriptors and quantum mechanics properties. A web interface allows (i) to browse data by category, (ii) to navigate the database by querying molecules and targets and (iii) to visualize and download molecule and target structures as well as computed descriptors and similarities. The desired data can be freely exported in textual/tabular format and the whole database in SQL format.
Database URL http://apdb.di.univr.it
Temperature-driven gene expression evolution in natural and laboratory populations highlights the crucial role of correlated fitness effects for polygenic adaptation
Authors: Thorhölludottir Dagny A V , Nolte Viola , Schlötterer Christian 
Published: July 2023

Abstract
The influence of pleiotropy on adaptive responses is a highly controversial topic, with limited empirical evidence available. Recognizing the pivotal role of the correlation of fitness effects, we designed an experiment to compare the adaptive gene expression evolution of natural and experimental populations. To test this, we studied the evolution of gene expression in response to temperature in two Drosophila species on a natural temperature cline in North America and replicated populations evolving in hot- and cold-temperature regimes. If fitness effects of affected traits are independent, pleiotropy is expected to constrain the adaptive response in both settings, laboratory and natural populations. However, when fitness effects are more correlated in natural populations, adaptation in the wild will be facilitated by pleiotropy. Remarkably, we find evidence for both predicted effects. In both settings, genes with strong pleiotropic effects contribute less to adaptation, indicating that the majority of fitness effects are not correlated. In addition, we discovered that genes involved in adaptation exhibited more pleiotropic effects in natural populations. We propose that this pattern can be explained by a stronger correlation of fitness effects in nature. More insights into the dual role of pleiotropy will be crucial for the understanding of polygenic adaptation.
An unusual active site architecture in cytochrome c nitrite reductase NrfA-1 from Geobacter metallireducens
Authors: Denkhaus Lukas , Siffert Fanny , Einsle Oliver 
Published: July 2023

Abstract
Dissimilatory nitrate reduction to ammonia (DNRA) is a central pathway in the biogeochemical nitrogen cycle, allowing for the utilization of nitrate or nitrite as terminal electron acceptors. In contrast to the competing denitrification to N2, a major part of the essential nutrient nitrogen in DNRA is retained within the ecosystem and made available as ammonium to serve as a nitrogen source for other organisms. The second step of DNRA is mediated by the pentahaem cytochrome c nitrite reductase NrfA that catalyzes the six-electron reduction of nitrite to ammonium and is widely distributed among bacteria. A recent crystal structure of an NrfA ortholog from Geobacter lovleyi was the first characterized representative of a novel subclass of NrfA enzymes that lacked the canonical Ca2+ ion close to the active site haem 1. Here, we report the structural and functional characterization of NrfA from the closely related G. metallireducens. We established the recombinant production of catalytically active NrfA with its unique, lysine-coordinated active site haem heterologously in Escherichia coli and determined its three-dimensional structure by X-ray crystallography to 1.9 Å resolution. The structure confirmed GmNrfA as a further calcium-independent NrfA protein, and it also shows an altered active site that contained an unprecedented aspartate residue, D80, close to the substrate-binding site. This residue formed part of a loop that also caused a changed arrangement of the conserved substrate/product channel relative to other NrfA proteins and rendered the protein insensitive to the inhibitor sulphate. To elucidate the relevance of D80, we produced and studied the variants D80A and D80N that showed significantly reduced catalytic activity.
The infinitesimal model with dominance
Authors: Barton Nicholas H , Etheridge Alison M , Véber Amandine 
Published: July 2023

Abstract
The classical infinitesimal model is a simple and robust model for the inheritance of quantitative traits. In this model, a quantitative trait is expressed as the sum of a genetic and an environmental component, and the genetic component of offspring traits within a family follows a normal distribution around the average of the parents’ trait values, and has a variance that is independent of the parental traits. In previous work, we showed that when trait values are determined by the sum of a large number of additive Mendelian factors, each of small effect, one can justify the infinitesimal model as a limit of Mendelian inheritance. In this paper, we show that this result extends to include dominance. We define the model in terms of classical quantities of quantitative genetics, before justifying it as a limit of Mendelian inheritance as the number, M, of underlying loci tends to infinity. As in the additive case, the multivariate normal distribution of trait values across the pedigree can be expressed in terms of variance components in an ancestral population and probabilities of identity by descent determined by the pedigree. Now, with just first-order dominance effects, we require two-, three-, and four-way identities. We also show that, even if we condition on parental trait values, the “shared” and “residual” components of trait values within each family will be asymptotically normally distributed as the number of loci tends to infinity, with an error of order 1/M. We illustrate our results with some numerical examples.
Quantifying circumpolar summer habitat for Antarctic krill and Ice krill, two key species of the Antarctic marine ecosystem
Authors: Merkel B , Trathan P , Thorpe S , Murphy E J , Pehlke H , Teschke K , Griffith G P 
Published: July 2023

AbstractAntarctic krill (Euphausia superba) and Ice krill (Euphausia crystallorophias) are key species within Southern Ocean marine ecosystems. Given their importance in regional food webs, coupled with the uncertain impacts of climate change, the on-going recovery of krill-eating marine mammals, and the expanding commercial fishery for Antarctic krill, there is an increasing need to improve current estimates of their circumpolar habitat distribution. Here, we provide an estimate of the austral summer circumpolar habitat distribution of both species using an ensemble of habitat models and updated environmental covariates. Our models were able to resolve the segregated habitats of both species. We find that extensive potential habitat for Antarctic krill is mainly situated in the open ocean and concentrated in the Atlantic sector of the Southern Ocean, while Ice krill habitat was concentrated more evenly around the continent, largely over the continental shelf. Ice krill habitat was mainly predicted by surface oxygen concentration and water column temperature, while Antarctic krill was additionally characterized by mixed layer depth, distance to the continental shelf edge, and surface salinity. Our results further improve understanding about these key species, helping inform sustainable circumpolar management practices.
Critical Points of Polynomials With Roots on the Unit Circle
Authors: Ge Fan , Gonek Steven M 
Published: July 2023

Abstract
Let ${\mathcal {L}}(u)$ be a polynomial with all its roots on the unit circle. We establish an “angle duality” theorem relating the roots and critical points of ${\mathcal {L}}(u)$. As an application, we prove that if there is a large gap between roots of ${\mathcal {L}}(u)$, then most critical points of ${\mathcal {L}}(u)$ lie close to the unit circle. We also use our result to strengthen Sendov’s well-known conjecture for these special polynomials. Finally, we prove a sharp estimate for the location of the critical point near a small gap between roots of ${\mathcal {L}}(u)$.
Biology and management of hemp russet mite (Acari: Eriophyidae)
Authors: Brendan Hayes Christopher , Carter Olivia , Robert MacWilliams Jacob , Cranshaw Whitney , Chaparro Jacqueline M , Prenni Jessica E , Nachappa Punya 
Published: July 2023

Abstract
Hemp is rapidly becoming a crop of global agricultural importance, and one of the more serious pests of this crop is hemp russet mite (HRM) Aculops cannabicola (Acari: Eriophyidae). Significant knowledge gaps presently exist regarding critical aspects of pest biology, quantification of crop damage, and efficacy of pesticides. Here we assessed the role of cannabidiol (CBD) on HRM performance, efficacy of sulfur treatments in field trials, and effect of hot water immersion with and without surfactants in reducing HRM counts on hemp cuttings. We found that HRM fecundity was reduced on a high-CBD cultivar compared with a low-CBD cultivar in detached leaf assays. In contrast, HRM fecundity and survival were not impacted when reared on high-CBD diet in artificial feeding assays. This suggests that cannabinoids other than CBD may aid in reduction of mite populations on the high-CBD cultivar. Sulfur sprays reduced HRM populations by up to 98% with the greatest effects seen in plants receiving dual applications, one during the vegetative period in July and the second at the initiation of flowering in August. Yields of plants treated with sulfur increased by up to 33%, and there was a further increase in cannabinoid production by up to 45% relative to untreated plants. Hot water immersion treatments with and without surfactant solution reduced HRM on infested hemp cuttings, and no phytotoxicity was observed. This study provides novel approaches to mitigating HRM at multiple stages in hemp production.
InFluence: An Open-Source Python Package to Model Images Captured with Direct Electron Detectors
Authors: Mangan Gearóid Liam , Moldovan Grigore , Stewart Andrew 
Published: July 2023

AbstractThe high detection efficiencies of direct electron detectors facilitate the routine collection of low fluence electron micrographs and diffraction patterns. Low dose and low fluence electron microscopy experiments are the only practical way to acquire useful data from beam sensitive pharmaceutical and biological materials. Appropriate modeling of low fluence images acquired using direct electron detectors is, therefore, paramount for quantitative analysis of the experimental images. We have developed a new open-source Python package to accurately model any single layer direct electron detector for low and high fluence imaging conditions, including a means to validate against experimental data through computation of modulation transfer function and detective quantum efficiency.
A helium nova in the Large Magellanic Cloud – the faint supersoft X-ray source [HP99]159
Authors: Kato Mariko , Hachisu Izumi , Saio Hideyuki 
Published: July 2023

ABSTRACT
We propose a helium nova model for the Large Magellanic Cloud (LMC) supersoft X-ray source (SSS) [HP99]159. This object has long been detected as a faint and persistent SSS for about 30 yr, and recently been interpreted to be a source of steady helium-shell burning, because no hydrogen lines are observed. We find that the object can also be interpreted as in a decaying phase of a helium nova. The helium nova is slowly decaying toward the quiescent phase, during which the observed temperature, luminosity, and SSS lifetime (≳30 yr) are consistent with a massive white dwarf model of ∼1.2 M⊙. If it is the case, this is the second discovery of a helium nova outburst after V445 Pup in our Galaxy, and also the first identified helium nova in the LMC. We also discuss the nature of the companion helium star in relation to Type Ia supernova progenitors.