bluuebunny/crossref_metadata_2025_split huggingface dataset:
Putting the Dark Emu debate into context
Authors: Denham Tim , Donohue Mark 
Published: August 2023

ABSTRACTIn this review of the Dark Emu debate we start out by summarising Bruce Pascoe's original work and Peter Sutton and Keryn Walshe's critique. However, the majority of this contribution is to place this Australian‐focussed debate into broader conceptual, methodological and evidential contexts generally associated with the investigation of early agriculture in other parts of the world. If we are to apply the term “agriculture” to Aboriginal plant management practices, then this requires a global, rather than a continental‐centric comparative perspective. We argue debates regarding the character of plant exploitation practices on the Australian mainland, including whether they included forms of agriculture or experimental horticulture, have been hindered by a lack of terminological clarity, the absence of a methodological framework to assess empirically verifiable evidence, and – even more problematically – a lack of relevant data on the putative plants and practices involved. Here, terminology is clarified and a bottom‐up, practice‐based method is advocated for the assessment of recent (using oral, visual and written histories) and ancient (using archaeological, archaeobotanical and palaeoecological evidence) forms of food plant exploitation in Australia. The terminology and methodological framework are heuristically applied to three scenarios: (1) ethnographic and historical records for the exploitation of underground storage organs (USOs) on the Australian mainland; (2) historical documentation regarding the botany, potential human roles in dispersal, and Aboriginal exploitation of banana (Musa spp.), taro (Colocasia esculenta) and greater yam (Dioscorea alata) in northern Australia and (3) archaeobotanical evidence for the exploitation of USOs and other plants from The Top End.
Association between COVID‐19 and myasthenia gravis (MG): A genetic correlation and Mendelian randomization study
Authors: Sun Dongren , Tu Liangdan , Wang Xiaofei , Du Qin , Wang Rui , Shi Ziyan , Chen Hongxi , Zhou Hongyu 
Published: August 2023

AbstractBackground:Observational studies have suggested an association between coronavirus disease 2019 (COVID‐19) and myasthenia gravis (MG). Here, we aimed to estimate the genetic correlation and causal relationship between COVID‐19 susceptibility, hospitalization, severity, and MG phenotypes using linkage disequilibrium score regression (LDSC) and Mendelian randomization (MR) approach.MethodsSummary statistics of COVID‐19 susceptibility, hospitalization, and severity were used as instrumental variables for exposure traits. Large‐scale genome‐wide association study (GWAS) data for MG were used as outcome traits. The inverse variance weighted approach was used for the main MR analysis, complemented by MR‐Egger, weighted median, simple mode, and weighted mode methods. Sensitivity analysis was implemented using Cochran's Q test, MR‐PRESSO method, and MR‐Egger intercept test.ResultsLDSC analysis did not reveal any genetic correlation among COVID‐19 susceptibility, hospitalization, severity, and MG phenotypes, including MG, early‐onset MG, and late‐onset MG (p > .05). Our MR analysis did not provide evidence supporting a causal effect of COVID‐19 susceptibility, hospitalization, or severity on MG phenotypes (p > .05). Extensive sensitivity analysis strengthened the robustness and consistency of the MR estimates.ConclusionOur study did not find evidence of a genetic correlation or causal relationship among COVID‐19 susceptibility, hospitalization, severity, and MG. Future studies with more GWAS data are needed to evaluate the association between COVID‐19 phenotypes and MG and its subgroups.
Computation‐Based Design of Salt Bridges in PETase for Enhanced Thermostability and Performance for PET Degradation
Authors: Qu Zhi , Chen Kun , Zhang Lin , Sun Yan 
Published: August 2023

AbstractPolyethylene terephthalate (PET) is one of the most widely used plastics, and the accumulation of PET poses a great threat to the environment. IsPETase can degrade PET rapidly at moderate temperatures, but its application is greatly limited by the low stability. Herein, molecular dynamics (MD) simulations combined with a sequence alignment strategy were adopted to introduce salt bridges into the flexible region of IsPETase to improve its thermal stability. In the designed variants, the Tm values of IsPETaseI168R/S188D and IsPETaseI168R/S188E were 7.4 and 8.7 °C higher than that of the wild type, respectively. The release of products degraded by IsPETaseI168R/S188E was 4.3 times that of the wild type. Tertiary structure characterization demonstrated that the structure of the variants IsPETaseI168R/S188D and IsPETaseI168R/S188E became more compact. Extensive MD simulations verified that a stable salt bridge was formed between the residue R168 and D186 in IsPETaseI168R/S188D, while in IsPETaseI168R/S188E an R168‐D186‐E188 salt bridge network was observed. These results confirmed that the proposed computation‐based salt bridge design strategy could efficiently generate variants with enhanced thermal stability for the long‐term degradation of PET, which would be helpful for the design of enzymes with improved stability.
Deposition of layered double hydroxide on non‐pretreated carbon cloth using lactate salts as raw materials
Authors: Machida Shingo , Hasegawa Kaishi , Katsumata Ken‐Ichi , Yasumori Atsuo 
Published: August 2023

AbstractThis study presented the successful deposition of layered double hydroxide (LDH) onto non‐pretreated carbon cloth (CC) using lactate salts as raw materials. Specifically, under the hydrothermal condition using urea hydrolysis and lactate salts as the source of Mg and Al, MgAl‐LDH was deposited onto the CC surface, which is typically treated with organic solvents and acids to enhance its hydrophilicity prior to LDH deposition. X‐ray diffraction patterns, field‐emission electron microscope images, and elemental analyses revealed the deposition and coating of hexagonal platy particles of a carbonate‐type MgAl‐LDH with pseudo hexagonal phase and Mg/Al molar ratio of 1 onto CC. This LDH coating was not achieved when using chlorides and nitrates, which commonly used Mg and Al sources. These results demonstrated the effectiveness of the proposed method for facile LDH deposition on hydrophobic surfaces.
Exploring Hydrogen Storage Capacity in Metal‐Organic Frameworks: A Bayesian Optimization Approach
Authors: Ghude Sumedh , Chowdhury Chandra 
Published: August 2023

AbstractMetal‐organic Frameworks (MOFs) can be employed for gas storage, capture, and sensing. Finding the MOF with the best adsorption property from a large database is usual for adsorption calculations. In high‐throughput computational research, the expense of computing thermodynamic quantities limits the finding of MOFs for separations and storage. In this work, we demonstrate the usefulness of Bayesian optimization (BO) for estimating theH2uptake capability of MOFs by using an existing dataset containing 98000 real and hypothetical MOFs. We demonstrate that in order to recover the best candidate MOFs, less than 0.027 % of the database needs to be screened using the BO method. This allows future adsorption experiments on a small sample of MOFs to be undertaken with minimal experimental effort by effectively screening MOF databases. In addition, the presented BO can provide comprehensible material design insights, and the framework will be transferable to optimizing other target properties. We also suggest using Particle Swarm Optimisation (PSO), a swarm intelligence technique in artificial intelligence, to estimate MOFs’H2uptake potential to achieve results comparable to BO. In addition, we implement a novel modification of PSO called Evolutionary‐PSO (EPSO) to compare and find interesting outcomes.
Post‐Synthetic Nucleobase Modification of Oligodeoxynucleotides by Sonogashira Coupling and Influence of Alkynyl Modifications on the Duplex‐Forming Ability
Authors: Mikami Atsushi , Mori Shohei , Osawa Takashi , Obika Satoshi 
Published: August 2023

AbstractRecently, it was reported that the alkynyl modification of nucleobases mitigates the toxicity of antisense oligonucleotides (ASO) while maintaining the efficacy. However, the general effect of alkynyl modifications on the duplex‐forming ability of oligonucleotides (ONs) is unclear. In this study, post‐synthetic nucleobase modification by Sonogashira coupling in aqueous medium was carried out to efficiently evaluate the physiological properties of various ONs with alkynyl‐modified nucleobases. Although several undesired reactions, including nucleobase cyclization, were observed, various types of alkynyl‐modified ONs were successfully obtained via Sonogashira coupling of ONs containing iodinated nucleobases. Evaluation of the stability of the duplex formed by the synthesized alkynyl‐modified ONs showed that the alkynyl modification of pyrimidine was less tolerated than that of purine, although both the modifications occurred in the major groove of the duplex. These results can be attributed to the bond angle of the alkyne on the pyrimidine and the close proximity of the alkynyl substituents to the phosphodiester backbone. The synthetic method developed in this study may contribute to the screening of the optimal chemical modification of ASO because various alkynyl‐modified ONs that are effective in reducing the toxicity of ASO can be easily synthesized by this method.
Chemistry of Gold(III) with a Pyridine‐Oxaziridine Ligand: Competition between C−O and N−O bond Activation
Authors: Nasser Nasser , Puddephatt Richard J. 
Published: August 2023

AbstractThe oxaziridine derivative 2‐t‐butyl‐3‐(2‐pyridinyl)oxaziridine reacted with Na[AuCl4].2H2O to give, after recrystallization from a solvent mixture containing methanol, a mixture of gold(III) complexes which were characterized crystallographically as the amide complex [AuCl2{κ2‐N,N’‐2‐C5H4NC(=O)N(t‐Bu)] and the aldolate complex [AuCl2{κ2‐N,O‐2‐C5H4NCH(OMe)O)]. It is suggested that these products arise after initial O−N or C−N bond cleavage respectively of the strained oxaziridine ring, after coordination to the gold(III) center. Monitoring of reactions by NMR spectroscopy showed that O−N bond cleavage of the oxaziridine ring was favoured in the presence of a protic solvent.
Variability of high dry matter orange‐fleshed sweetpotato [Ipomoea batatas (L.) Lam.] in later breeding stages and allocation of breeding resources in the humid tropics of Peru
Authors: Diaz Federico , Eyzaguirre Raúl , Marulanda Jose , Blas Raul , Longin C. Friedrich H. , Utz H. Friedrich , De Boeck Bert , Grüneberg Wolfgang J. 
Published: August 2023

AbstractOrange‐fleshed sweetpotato (OFSP) [Ipomoea batatas (L.) Lam] often lacks high dry matter (DM) in elite breeding material. The objectives were to examine the potential to combine yield with high root DM and high root β‐carotene (BC) content by variance‐covariance analysis and optimization of breeding scenarios for “OFSP dry and starchy,” which was exemplarily shown for the humid tropics of Peru. The trial series across seasons suggested a good chance to combine yield and quality (high DM and high BC). The unique data were used to estimate variance components and correlations among four yield traits and four quality traits. For the optimization of selections in our breeding program, we used the selection response by Cochran's approach and developed a small R script. Responses to selection were predicted for storage root yield and a modified Elston index aggregating eight traits. The differences between two‐ and three‐stage selection scenarios were small. For storage root yield, the recommended optimized two‐stage selection increased the response relative to the standard (one‐stage selection 100%) to 141.6% for 2268 plots and to 189.1% for 540 plots; the corresponding optimized three‐stage selection increased the response to 144.3% for 2268 plots and to 190.5% for 540 plots. A two‐stage selection is recommended with two to three locations at the first stage and 6–12 locations at the second stage, according to low‐ or high‐test capacity, respectively. Optimization of breeding schemes is much more important for smaller breeding programs than those with larger test capacity, and this allows testing even larger numbers of genotypes in a small breeding program.
Trucks versus treks: The relative influence of motorized versus nonmotorized recreation on a mammal community
Authors: Gump Kelsey M. , Thornton Daniel H. 
Published: August 2023

AbstractOutdoor recreation is increasing rapidly on public lands, with potential consequences for wildlife communities. Recreation can induce shifts in wildlife activity and habitat use, but responses vary widely even within the same species, suggesting mitigating factors that remain poorly understood. Both the type of recreation—motorized or nonmotorized—and the distance of wildlife from human disturbance may be important in developing a general understanding of recreation impacts on wildlife and making more informed management decisions. We conducted a camera‐trapping survey in the Colville National Forest (CNF) of northeastern Washington in the summers of 2019 and 2020. We collected ~11,000 trap nights of spatially extensive data on nine mid–large mammalian species, simultaneously recording the presence and activity patterns of motorized (primarily vehicles on roads) and nonmotorized (primarily hikers on trails) recreation and wildlife both along trails and roads and off trails and off roads (away from most recreation). We used diel overlap analysis, time lag analysis, and single‐season single‐species occupancy modeling to examine the impact of recreation on the focal species. Species temporally avoided recreationists either by shifting to more nocturnal hours or delaying return to recently used recreation sites. Most species also responded spatially by altering the use or the intensity of use of camera sites due to recreation, although both positive and negative associations with recreation were documented. Species responded to nonmotorized recreation (e.g., hikers on trails) more often than motorized recreation (e.g., vehicles on roads). Most effects of recreation extended off the trail or road, although in three instances the spatiotemporal response of species to recreation along trails/roads disappeared a short distance away from those features. Our work suggests that a better understanding of landscape‐scale impacts of recreation, including fitness consequences, will require additional work to disentangle the effects of different types of recreation and estimate the effective distance at which wildlife responds. Moreover, these results suggest that quiet, nonconsumptive recreation may warrant increased attention from land managers given its potential to influence the spatiotemporal ecology of numerous species.
Electrochemical pH sensing characteristics of nitrogen‐doped zinc oxide nanostructures using a screen‐printed platform**
Authors: Mary Manoj Alisha , Rose Viannie Leema 
Published: August 2023

AbstractMonitoring pH variations is of vital importance in the field of medical diagnostics and healthcare devices. Employing zinc oxide (ZnO) nanomaterials as active sensing elements allows sensitivity enhancement by increasing the surface area of the nanomaterials used and improving the charge transfer mechanism in the sensor. In this study, an electrochemical pH sensor based on nitrogen‐doped zinc oxide nanosheets was developed using a single step hydrothermal technique. The results obtained show the successful incorporation of nitrogen into the crystal structure of ZnO nanosheets. The sensing platform was fabricated using a simple mask‐printing technique using carbon electrodes on a polyimide substrate. The sensing characteristics of nitrogen‐doped ZnO (N−ZnO) nanosheets as pH sensors are evaluated for the first time. The results show that the response time and performance improved with nitrogen doping, for a lower analyte volume of just 5 mL. Furthermore, the detailed mechanism of pH sensing was formulated using electrochemical impedance spectroscopy (EIS). The resistance obtained was directly proportional to the charge‐transfer resistance at the electrode‐electrolyte interface for N−ZnO. The sensitivity as determined by charge‐transfer resistance is 0.512 MΩ/pH. Further, the chronoamperometric studies show a sensitivity of 0.156 μA/pH. The response characteristics also reveal a linearity of 0.965 over a pH range of 3 to 9. Hence, the study shows the exceptional response of N−ZnO nanostructures in pH sensing applications. The advantages of the N−ZnO nanosheets include higher sensitivity, flexibility, and a smaller volume of testing fluid that promotes their easy integration into various analytical applications.
Sensitivity of the Neotropical Solitary Bee Centris analis F. (Hymenoptera, Apidae) to the Reference Insecticide Dimethoate for Pesticide Risk Assessment
Authors: Tadei Rafaela , Menezes-Oliveira Vanessa B. , Silva Claudia I. , Mathias da Silva Elaine C. , Malaspina Osmar 
Published: August 2023

Abstract
Currently, only Apis mellifera is used in environmental regulation to evaluate the hazard of pesticides to pollinators. The low representativeness of pollinators and bee diversity in this approach may result in insufficient protection for the wild species. This scenario is intensified in tropical environments, where little is known about the effects of pesticides on solitary bees. We aimed to calculate the medium lethal dose (LD50) and medium lethal concentration (LC50) of the insecticide dimethoate in the Neotropical solitary bee Centris analis, a cavity-nesting, oil-collecting bee distributed from Brazil to Mexico. Males and females of C. analis were exposed orally to dimethoate for 48 h under laboratory conditions. Lethality was assessed every 24 h until 144 h after the beginning of the test. After the LD50 calculation, we compared the value with available LD50 values in the literature of other bee species using the species sensitivity distribution curve. In 48 h of exposure, males showed an LD50 value 1.33 times lower than females (32.78 and 43.84 ng active ingredient/bee, respectively). Centris analis was more sensitive to dimethoate than the model species A. mellifera and the solitary bee from temperate zones, Osmia lignaria. However, on a body weight basis, C. analis and A. mellifera had similar LD50 values. Ours is the first study that calculated an LD50 for a Neotropical solitary bee. Besides, the results are of crucial importance for a better understanding of the effects of pesticides on the tropical bee fauna and will help to improve the risk assessment of pesticides to bees under tropical conditions, giving attention to wild species, which are commonly neglected. Environ Toxicol Chem 2023;42:2758–2767. © 2023 SETAC
The estrogen receptor modulatory activity and neuroprotective activity of novel prenylated flavonoids and their structure–activity relationship
Authors: Wen Lingrong , Yuan Yunfei , Jiang Yueming , Xiong Binghong , Yang Bao 
Published: August 2023

AbstractPrenylated flavonoids are promising nutraceuticals with diverse bioactivities. However, publications on the mechanism of action and structure–activity relationship of prenylated flavonoids are limited. In the present work, six novel prenylated flavonoids (C8–C13) with diversity structure were prepared. Their estrogen receptor (ER) modulator activity and neuroprotective activity were investigated by cell assays. C8, C9, and C10 with 8‐C‐prenyl and 7‐OH showed agonistic activities toward ERα and ERβ, along with high ERβ selectivity. However, C11 and C12 were ERα‐selective agonists. The position and substituent moiety of prenylation, C‐ring configuration, and flavonoid skeleton were important for the ER modulating activities. Hydrogen bonds between 3′‐OH and Leu339 in ERβ, and 5′‐OH and Glu305 in ERβ might respond for the higher agonistic activity of C8 and C10, respectively. C8, C9, C11, and C12 showed more potency than 17β‐estradiol on neuroprotection in glutamate‐treated PC‐12 cells. C8 and C12 could reverse reactive oxygen species overproduction and reduction of Δψm induced by glutamate through increase of the expression of ERS1, SOD1, SOD2, CAT, and GPx4 and decrease of caspase‐3 expression, suggesting C8, and C9 might interact with ERα, promote antioxidant defense, mitigate oxidative stress, and improve mitochondrial function to exert the neuroprotection activities.
Emodin protects against intestinal dysfunction and enhances survival in rat model of septic peritonitis through anti‐inflammatory actions
Authors: Hua Zhongjie , Wang Yaqin , Chen Weiping , Li Wei , Shen Jiali 
Published: August 2023

AbstractBackgroundSepsis is a significant contributor to organ function damage or failure that results in intestinal dysfunction. Emodin (Emo) has received much attention for its notable anti‐inflammatory and antibacterial properties. We aimed to explore the function of Emo on sepsis.MethodsSprague Dawley (SD) rats were pretreated with 20 or 40 mg/kg of Emo, followed by using cecal ligation and perforation to establish sepsis models. Hereafter, blood glucose levels, biochemical parameters, and inflammatory cytokines were measured. Additionally, ileal myeloperoxidase (MPO) activity was also measured. Diamine oxidase (DAO) level in plasma, fluorescein isothiocyanate‐dextran 40 (FD‐40) level in serum, bacteria number in blood and peritoneal fluid, histopathological changes of ileum, and tight junction (TJ) protein expressions in ileum were tested to evaluate the barrier function. Furthermore, CD4+ and CD8+ T cells' percentages were evaluated by flow cytometry. Finally, rats' survival rate was calculated as live rats divided by the total number of rats.ResultsEmo pretreatment not only decreased blood glucose level, but also downregulated triglyceride (TG), alanine aminotransferase (ALT), aspartate aminotransferase (AST), serum creatinine (SCr), blood urea nitrogen (BUN) contents for sepsis rats, especially for the high dose of Emo (p < .05). Furthermore, Emo inhibited MPO activity and inflammatory factor release (p < .05). Crucially, after Emo administration, the barrier function of ileum was enhanced, evidenced by the reduced DAO, FD‐40 levels, decreased bacteria number, alleviated pathological damage in ileum and increased TJ protein expressions (p < .05). Rats treated with Emo exhibited increased percentages of CD8+ and CD4+ T cells (p < .05), as well as an improved survival rate.ConclusionEmo exhibited a remarkable ability to attenuate sepsis by restoring intestinal dysfunction and improving survival rates, and the mechanism was closely related to anti‐inflammatory properties, which provided new solid evidence for the use of Emo in treating sepsis.