bluuebunny/crossref_metadata_2025_split huggingface dataset:
First‐Principles Calculations to Investigate Electronic, Elastic, Magnetic, and Optical Properties for B1, B2, and B3 Phase for Sr0.875Mn0.125O with and Without Relaxation Structure
Authors: Kerbouche Aouali , Mebrek Moued , Zemouli Mustapha , Berber Mohamed , Souar Zeggai , Benallou Yassine , Elkeurti Mohammed 
Published: September 2023

AbstractIn this work, the structural, electronic, elastic, optical, and magnetic properties for the B1, B2, and B3 phases of Sr0.875Mn0.125O with relaxed structure (RS) and unrelaxed structure (URS) are investigated. The investigations are accomplished by the adoption of first‐principle methods established on spin‐polarized density functional theory, based on the full‐potential linearized augmented plane wave method as implemented in the WIEN2k code, where the electronic exchange‐correlation potential is studied by the Perdew–Burke–Ernzerhof generalized gradient approximation (GGA‐PBEsol) and the revised TB‐mBJ rapprochement. The negative formation energy and elastic constant that are acquired indicate the thermodynamical and mechanical stability of all these structures. The ternary Sr0.875Mn0.125O alloys for all structures show half‐metallic ferromagnetic behavior with a spin polarization of 100 % at the Fermi level, except the B2 phase without unrelaxed structure (URS). The total magnetic moments are 5 µB for all compounds and the interaction is ferromagnetic between Mn─Sr and Mn─O sites. Optical properties such as refractive index and the optical reflectivity for these alloys are computed and discussed. These materials are half‐metallic ferromagnets, and they can be desirable applicants for spintronics implementations and ultraviolet spectra.
Enhanced Sodium Ion Batteries′ Performance: Optimal Strategies on Electrolytes for Different Carbon‐based Anodes
Authors: Liu Lu , Bashir Shahid , Ling Goh Zhi , Hoe Loh Kah , Liew Jerome , Kasi Ramesh , Subramaniam Ramesh T. 
Published: September 2023

AbstractCarbon‐based materials have emerged as promising anodes for sodium‐ion batteries (SIBs) due to the merits of cost‐effectiveness and renewability. However, the unsatisfactory performance has hindered the commercialization of SIBs. During the past decades, tremendous attention has been put into enhancing the electrochemical performance of carbon‐based anodes from the perspective of improving the compatibility of electrolytes and electrodes. Hence, a systematic summary of strategies for optimizing electrolytes between hard carbon, graphite, and other structural carbon anodes of SIBs is provided. The formulations and properties of electrolytes with solvents, salts, and additives added are comprehensively presented, which are closely related to the formation of solid electrolyte interface (SEI) and crucial to the sodium ion storage performance. Cost analysis of commonly used electrolytes has been provided as well. This review is anticipated to provide guidance in future rational tailoring of electrolytes with carbon‐based anodes for sodium‐ion batteries.
Insulin‐mimetic peptides in sports drug testing
Authors: Thomas Andreas , Krombholz Sophia , Breuer Johanna , Walpurgis Katja , Thevis Mario 
Published: September 2023

AbstractBecause of its influence on carbohydrate metabolism and, at the same time, anti‐catabolic effects, the misuse of the peptide hormone insulin and its synthetic analogs is prohibited in sports at all times according to the regulations of the World Anti‐Doping Agency (WADA). The biological effects of insulin and its analogs are mediated through binding to the insulin receptor, which was also found to be activated by different peptides structurally largely unrelated to insulin. Such insulin‐mimetic peptides or selective‐insulin receptor modulators (SIRMs) represent a novel class of potential performance‐enhancing agents, which is currently not explicitly mentioned on the WADA Prohibited List. Within this research project, advanced solid‐phase extraction (SPE) and liquid chromatography coupled to high‐resolution tandem mass spectrometry (LC‐HRMS/MS) were employed to develop a fast, reliable, and specific assay for the detection of the insulin‐mimetic peptides S597 and S519 from plasma. Method validation demonstrated a detection limit of 0.5 ng/mL and successfully illustrated the applicability of the approach to routine sports drug testing programs. Moreover, sophisticated and comprehensive in vitro metabolism experiments were conducted, and several metabolic degradation products were identified, which will enhance the information generated from future analyses of doping control samples.
Do ecosystems have functions?
Authors: Krohs Ulrich , Zimmer Martin 
Published: September 2023

Abstract‘Ecosystem function’ and ‘ecosystem functioning’ became core keywords in the ecological literature on ecosystems, their structure, development and integrity. We investigate functions from the perspective of causal contributions to higher capacities, as selected effects, as contributions to the stability and self‐maintenance of organisms and as type‐fixed effects. Based on an in‐depth discourse in philosophy of science, we conclude that ecosystems do not have functions in any sense that goes beyond a mere description of a causal contribution. We recommend the terms ‘ecosystem function’ and ‘ecosystem functioning’ be avoided in the ecological literature (and beyond).
Epigenetic architecture of Pseudotaxus chienii: Revealing the synergistic effects of climate and soil variables
Authors: Su Yingjuan , Liu Li , Deng Qi , Lü Zhuyan , Wang Zhen , He Ziqing , Wang Ting 
Published: September 2023

AbstractWhether conifers can withstand environmental changes especially temperature fluctuations has been controversial. Epigenetic analysis may provide new perspectives for solving the issue. Pseudotaxus chienii is an endangered gymnosperm species endemic to China. In this study, we have examined the genetic and epigenetic variations in its natural populations aiming to disentangle the synergistic effects of climate and soil on its population (epi)genetic differentiation by using amplified fragment length polymorphism (AFLP) and methylation‐sensitive AFLP (MSAP) techniques. We identified 23 AFLP and 26, 7, and 5 MSAP outliers in P. chienii. Twenty‐one of the putative adaptive AFLP loci were found associated with climate and/or soil variables including precipitation, temperature, K, Fe, Zn, and Cu, whereas 21, 7, and 4 MSAP outliers were significantly related to precipitation of wettest month (Bio13), precipitation driest of month (Bio14), percent tree cover (PTC), and soil Fe, Mn, and Cu compositions. Total precipitation and precipitation in the driest seasons were the most influential factors for genetic and epigenetic variation, respectively. In addition, a high full‐methylation level and a strong correlation between genetic and epigenetic variation were detected in P. chienii. Climate is found of greater importance than soil in shaping adaptive (epi)genetic differentiation, and the synergistic effects of climate and climate–soil variables were also observed. The identified climate and soil variables should be considered when applying ex situ conservation.
Synthesis and Electrochemical Investigation of Phosphine Substituted Diiron Phosphadithiolate Complexes
Authors: Guseva Tatiana , Gerschel Philipp , Siegmund Daniel , Apfel Ulf‐Peter 
Published: September 2023

AbstractThis work reports on ligand exchange reactions between a [FeFe] hydrogenase model containing the higher homologue (PhosDT) and phosphines selected to cover a variety of electronic properties and possible coordination modes. Additionally, the amount of the phosphines and the reaction temperature were varied to study the formation of complexes with multiple phosphines or altered binding modes. Due to steric effects caused by the position of the bridgehead, the phosphines bind preferentially at the more accessible iron centre on the phosphinate averted side. While all ligand exchanges resulted in a ligand‐specific main product at room temperature, reflux conditions induced decomposition in case of PhosDT‐(κ2‐dppe) and PhosDT‐(κ2‐dppv) and a change in the binding mode for the dppm containing complex. Moreover, we highlight two novel iron complexes obtained as side products of the reactions with dppe and dppv, while in case of dppm an additional model with two bridging phosphine ligands was generated. Finally, the six novel phosphine substituted PhosDT models were electrochemically investigated, revealing a cathodic shift compared to the starting material due to the increased electron density at the iron atoms. Moreover, the models with monodentate ligands exhibit a different CV pattern for the FeIFeI/FeIFe0 process than complexes with bidentate phosphines.
Fabrication of NiSe2 decorated graphene oxide nanocomposite modified electrode as a high performance electrochemical sensor for carbamazepine
Authors: Agadi Naveenkumar P. , Tandel Ranjita , Seetharamappa Jaldappagari , Kalanur Shankara 
Published: September 2023

AbstractRecently, semiconductor nanomaterials have gained interest amongst researchers because of their good electrocatalytic properties. Two dimensional (2D) transition metal dichalcogenide materials, NiSe2 have good physical, chemical, and transport properties for sensing applications. The present work demonstrates the fabrication of NiSe2‐graphene oxide (NiSe2−GO) modified glassy carbon electrode for the determination of carbamazepine (CBZ). The prepared nanocomposite was characterized by XRD, SEM and FT‐IR spectral methods. CBZ exhibited an irreversible oxidation peak at 0.85 V on NiSe2−GO/GCE in phosphate buffer of pH 7.0. A 54‐fold enhancement in oxidation peak current was observed at NiSe2−GO/GCE when compared to that at bare GCE. Sensing performance of NiSe2−GO/GCE was optimized by varying peak current dependent parameters. Linear relationship between the peak current and concentration of CBZ was observed in the range of 4.50×10−8–3.22×10−5 mol L−1 for differential pulse voltammetric method and 2.32×10−8–4.79×10−5 mol L−1 for square wave voltammetric method. The practical utility of the proposed sensor, was demonstrated by determining CBZ in pharmaceutical formulations and spiked urine samples.
Green synthesis of silver‐doped metal hexacyanoferrates nanostructures for efficient cleanup of endocrine‐disrupting pesticides
Authors: Rani Manviri , Choudhary Sudha , Shanker Uma 
Published: September 2023

AbstractHerein, inexpensive and eco‐friendly approach for the green synthesis of silver‐doped metal hexacyanoferrates (Ag@MHCFs) nanocomposite using green tea extract has been reported. Silver‐doped MHCF nanocatalysts were used to photo‐degradation endocrine disruptor pesticides, namely endosulfan (ES) and atrazine (AT), from water under direct Sunlight. Spectroscopic and electron microscopic techniques confirmed the successful synthesis of nanomaterials. Ag@FeHCF observed maximum degradation efficiency due to their high surface area (89.3 m2g−1), significant zeta potential (−43.4 mV), lower band gap (1.5 eV), and low photoluminescence intensity as compared to other Ag doped MHCFs. Best degradation results showed with concentration amount (5 mg L−1), dose (20 mg of ES; 15 mg of AT), at neutral pH under sunlight irradiation. Degradation up to 98% for ES and 96% for AT was reported. The degradation ensued by Langmuir adsorption and first‐order kinetics. GC–MS analysis showed the degradation of pesticides into CO2, H2O, and harmless minor metabolites under Sunlight. Ag@FeHCF have indicated high reusability (n = 10), ensuring their charge separation, stability, and sustainability. Ag@MHCF nanoparticles may show as substitute catalysts for industrial use with a fervent scope.
Debris‐flow fan development and geomorphic effects in alpine canyons under a changing climate
Authors: Hou Weipeng , Yu Guo‐An 
Published: September 2023

AbstractDebris flows in alpine environments are prone to occur in the context of global climate change (i.e., elevated air temperature and higher frequency of strong precipitation events). (Alluvial) Fans often develop at the outlet of tributaries after high‐intensity debris flows. Most debris‐flow fans in alpine canyon areas extend directly to the main river channel and become the forefront of the interaction between the tributary gully and the main river channel. Clarifying the development processes/dynamics, evolutionary mechanisms and driving factors of alluvial fans would shed light on understanding the geomorphological effects and genesis of river valleys in alpine canyon areas. Here, we report the development of debris‐flow fan at the outlet of the Tianmo Gully, a formerly hazard‐free but currently hazard‐active tributary of the Parlung Tsangpo Basin, Southeast Tibet, where debris flows have occurred frequently in the last two decades. Combining remote‐sensing images, DEM data, UAV aerial photography, RTK topographic survey and other fieldwork, the development processes and morphological characteristics of the Tianmo fan under the influence of four large debris flows were analysed. Both primary events (described as episodic debris‐flow events characterized by high‐magnitude mass movement) and secondary events (corresponding to perennial stream flow processes with much lower sediment concentrations) affected the development of the Tianmo fan. Episodic debris‐flow events drastically shape the macroscopic morphology of the fan, with rapid deposition and expansion of the fan body, whereas perennial stream flow processes slowly modulate the fan during the intermittent period between debris flows, mainly with gradual retrogressive incision and lateral migration of flow channel on the fan body. Influenced by the strong sediment‐transport process of debris flows and the alluvial fan development, the planform of the Parlung Tsangpo River evolved from a relatively narrow and single‐thread pattern to an alternating‐wide‐and‐narrow pattern, with a corresponding staircase‐like longitudinal profile.
Association of nonalcoholic fatty liver disease and carotid media‐intima thickness: A systematic review and a meta‐analysis
Authors: Khoshbaten Manouchehr , Maleki Sepideh H. , Hadad Sara , Baral Amrit , Rocha Ana V. , Poudel Laxmi , Abdshah Alireza 
Published: September 2023

AbstractIntroductionThe relationship between cardiovascular disorders and nonalcoholic fatty liver disease (NAFLD) has been extensively studied. To better pool this data and make a more definite conclusion, we performed a meta‐analysis to evaluate the association between NAFLD and the thickness of media and intima of carotid artery (CIMT) and cardiovascular disorders.MethodsWe searched PubMed, Ovid, Scopus, ProQuest, Web of Science, and the Cochrane Library, and analyzed the pooled data using R studio and the “metafor” package.ResultsThe final analysis included a total of 59 studies with 16,179 cases and 26,120 control individuals. NAFLD was shown to be associated with an increase of 0.1231 mm (20.6%) in carotid artery intima‐media thickness (CIMT) (p = 0.002, 95% confidence interval [CI]: 0.0462–0.2000) in individuals with NAFLD. The prevalence of atherosclerotic plaques in the carotid arteries and the occurrence of NAFLD are significantly correlated, according to a meta‐analysis based on 17 distinct studies (p = 0.001, 1.28–1.43, 95% CI, odds ratio = 1.356).ConclusionPatients with increased CIMT are considerably more likely to have NAFLD. Large prospective investigations are required to corroborate these findings and their prognostic significance, along with the effectiveness of the available interventions.
CFD analysis of the effects of flow and thermal oscillations in heat transfer of impinging jet
Authors: Suyambazhahan S. , Sathyanarayanan S. , Asok S. P. , Narayanan K. V. 
Published: September 2023

AbstractA horizontal laminar buoyant impinging slot jet on an isothermal vertical plate was analyzed using ASNYS‐Fluent simulation software. The study mainly focused on oscillations of velocity and temperature occurring in the laminar regime of a jet shear layer to investigate the effect of oscillations in heat transfer. The SIMPLE technique with finite volume method is used based on a semi‐staggered mesh created. The predicted simulation results of heat transfer data and Strouhal number for isothermal jet flow against Reynolds number on jet impingement are validated with literature results. The predicted numerical study results are in good agreement with the experimental results. Subsequently, the parametric study is carried out to investigate the periodic oscillations that occur in the jet structure (shear layer). The results show that the standoff distance (H) and Reynolds number play a vital role in the critical transition of periodic to nonperiodic oscillations. Also, the nature of jet oscillations is more significant based on buoyancy in the jet flow and it is observed that in the mixed convective regime, an earlier transition from periodic to nonperiodic occurs as the oscillation frequency reduces which affected impingement heat transfer in low‐speed jets. Small standoff distances (H < 10) resulted in better heat transfer.
Theranostic applications of biomolecule‐responsive aggregation‐induced emission luminogens
Authors: Liao Yanan , Peng Zhen , Liu Xiaolin , Hu Yubing , Zhang Jing 
Published: September 2023

AbstractHighly sensitive and high‐accuracy detection of biomolecular changes is vital for the early diagnosis and treatment of diverse diseases. Due to their unique advantages and the broad application prospects in biomolecular detection, aggregation‐induced emission luminogens (AIEgens) have especially attracted the attention of related researchers. In recent years, the development of AIEgens has been increasingly rapid and a myriad of related AIEgens have been reported. This review thus presents a systematic overview on the theranostic applications of biomolecule‐responsive AIEgens based on four representative types, including enzymes, reactive nitrogen species, reactive oxygen species and biological thiols. In each type, we provide detailed elucidation of the associated design strategies, discuss the pertinent responsive mechanisms and present the corresponding diagnostic and therapeutic applications in cancer, inflammation and organic injury. Additionally, the main findings are summarized and the existing limitations and promising directions for future research in this field are also outlined. Through this review, we hope to provide inspiration for researchers in related fields to design new biomolecule‐responsive fluorescent materials for clinical diagnosis and therapy of diseases.
Reduced access to reinforcement drives delay discounting during experienced delays
Authors: Macaskill Anne C. , Thompson‐Davies Kendra , Hunt Maree J. 
Published: September 2023

AbstractRewards lose value as a function of delay. Previous studies suggest that delays have a bigger effect on reward value when people must wait during the delay. However, whether delays involve waiting or postponing has often been confounded with whether choices are about hypothetical or real rewards. The current study characterized the effects of waiting and postponing in hypothetical and experiential choice contexts separately. In Experiment 1 we observed steeper delay discounting for waiting than for postponing in choices about both hypothetical money and about experienced computer game points. Two factors potentially contributing to steeper discounting in choices about waiting are reduced access to other rewards and direct costs of waiting. In Experiment 2, we adapted the experiential delay‐discounting task to manipulate each factor separately. Reduced access to other reinforcers had a bigger effect on delay discounting than direct costs of waiting. These results underscore the importance of considering the unique influence of waiting and associated opportunity costs in both basic delay‐discounting research and in applied contexts.
The emotional journey of adapting to prenatally identified trisomy X
Authors: Thompson Talia , Tisher Jessica , Davis Shanlee , Miller Christina , Kirk Jillian , Tartaglia Nicole , Howell Susan 
Published: September 2023

AbstractThere is a paucity of research on the experiences of parents of children with trisomy X (47,XXX). Increased prenatal diagnoses associated with advances in noninvasive prenatal screening necessitate a better understanding of how trisomy X impacts family systems. This qualitative investigation aimed to describe the lived experience of parents of young daughters with prenatally identified trisomy X to guide genetic counseling. Semi‐structured qualitative interviews were conducted via teleconferencing with parents (n = 11) of girls with trisomy X, ages 6–44 months. A descriptive phenomenological approach was used to code transcripts for significant statements and reduce data into themes describing the experience of receiving a diagnosis of trisomy X and the experience of early parenting in this population. Participants described an emotional journey of adapting to prenatally identified trisomy X. Four descriptive themes included two related, yet distinct, life stages: Negative Diagnostic Experience and a Hopeful Early Childhood, as well as two ongoing experiences: Persistent Ambiguity and Coping with and Adapting to Uncertainty. Results suggest providers should carefully consider word choice and timing in delivery of diagnosis, and genetic counseling should provide expectant parents with current research specific to trisomy X, facilitate connections with other parents of young girls with trisomy X, introduce developmental monitoring approaches, and be prepared to support families with a range of emotional responses to the diagnosis and decisions regarding disclosure.
Prognostic heterogeneity and clonal dynamics within distinct subgroups of myelodysplastic syndrome and acute myeloid leukemia with TP53 disruptions
Authors: Patel Shyam A. , Cerny Jan , Gerber William K. , Ramanathan Muthalagu , Ediriwickrema Asiri , Tanenbaum Benjamin , Hutchinson Lloyd , Meng Xiuling , Flahive Julie , Barton Bruce , Gillis‐Smith Andrew J. , Suzuki Sakiko , Khedr Salwa , Selove William , Higgins Anne W. , Miron Patricia M. , Simin Karl , Woda Bruce , Gerber Jonathan M. 
Published: September 2023

AbstractTP53 aberrations constitute the highest risk subset of myelodysplastic neoplasms (MDS) and acute myeloid leukemia (AML). The International Consensus Classification questions the blast threshold between MDS and AML. In this study, we assess the distinction between MDS and AML for 76 patients with TP53 aberrations. We observed no significant differences between MDS and AML regarding TP53 genomics. Median overall survival (OS) was 223 days for the entire group, but prognostic discrimination within subgroups showed the most inferior OS (46 days) for AML with multihit allelic state plus TP53 variant allele frequency (VAF) > 50%. In multivariate analysis, unadjusted Cox models revealed the following variables as independent risk factors for mortality: AML (vs. MDS) (hazard ratio [HR]: 2.50, confidence interval [CI]: 1.4–4.4, p = 0.001), complex karyotype (HR: 3.00, CI: 1.4–6.1, p = 0.003), multihit status (HR: 2.30, CI 1.3–4.2, p = 0.005), and absence of hematopoietic cell transplant (HCT) (HR: 3.90, CI: 1.8–8.9, p = 0.0009). Clonal dynamic modeling showed a significant reduction in TP53 VAF with front‐line hypomethylating agents. These findings clarify the impact of specific covariates on outcomes of TP53‐aberrant myeloid neoplasms, irrespective of the diagnosis of MDS versus AML, and may influence HCT decisions.