bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impacting the Surface Chemistry of NiAu by Immobilizing on MgO/N‐Rich Nanoporous Carbon Heterostructures for Boosting Catalytic Activities
Authors: Nithya Kesavan , Anbuselvan Natarajan , Anbarasan Rajagopal , Vasantha Vairathevar Sivasamy , Suresh Devarajan , Amali Arlin Jose 
Published: August 2024

AbstractTuning the physical and chemical interaction between metal–metal′ (M−M′) and metal–support is an ideal way to realize enhanced catalytic activity of metal nanoparticles (NPs). As a proof of concept, herein we report the fabrication of nickel‐gold (Ni−Au) alloy nanoparticles attached to N‐doped nanoporous carbon (NPC) intervened with MgO (Ni73Au27@MgO‐NPC), achieved through the impregnation of metal precursors into Schiff‐base network polymer (SNP) framework along with Mg(OH)2 and pyrolysis at 800 °C in N2 atmosphere. With high stability and heterogeneity, the nickel rich Ni73Au27@MgO‐NPC exhibited higher catalytic activities with turnover frequencies of 29,272 h−1 (hydrogenation of p‐nitrophenol), 93,843 h−1 (degradation of methyl orange), and 2,218 h−1 (epoxidation of stilbene), compared to commercial 10 wt % Pd/C. Enhanced catalytic activity is correlated to the synchronized electron density enhancement in Au, by Ni and MgO/N‐rich nanoporous carbon heterostructures, as evident from detailed X‐ray photoelectron spectroscopic studies.
Progress in Pharmacometrics Implementation and Regulatory Integration in Africa: A Systematic Review
Authors: Ndzamba Bonginkosi S'fiso , Egieyeh Samuel , Fasinu Pius 
Published: August 2024

The availability of clinical trial data, advocacy, and increased funding has facilitated the implementation of pharmacometrics in Africa, resulting in the establishment of additional training programs for pharmacometricians. This study conducted a systematic review to evaluate the progress made from the implementation of pharmacometrics in clinical drug development and its adoption into drug approval by regulatory authorities in Africa. We performed a comprehensive literature search using major databases such as PubMed and Google Scholar. The study included articles published until 2024, with no lower cutoff. Articles were excluded if not addressing the research question or of pharmacometrics studies done outside Africa with no collaboration with African researchers (study setting). For the review, a total of 121 articles were included for analysis. Among the reported pharmacometrics approaches, Population pharmacokinetics modeling approaches are the most used (95 (78.5%)). South Africa and Uganda researchers have the most research output in pharmacometrics in Africa (82 (89.1%) and 7 (7.61%), respectively), with the University of Cape Town (South Africa) producing the highest (71 (78.8%)) of all article in Africa. The most studied conditions are TB (43 (35.5%)), HIV (33 (27.3%), TB and HIV (22 (18.2%)), and malaria (12 (9.92%). Pharmacometrics is gaining momentum in Africa, and the progress made since inception will significantly improve the safety and efficacy of therapeutic agents used to treat HIV, TB, and other emerging conditions.
A Compendium of Methodically Determined Ground‐ and Excited‐State Properties of Homoleptic Ruthenium(II) and Osmium(II) Photosensitizers
Authors: Glaser Felix , De Kreijger Simon , Achilleos Katerina , Satheesh Lakshmi Narayan , Ripak Alexia , Chantry Noémie , Bourgois Céline , Quiquempoix Sophie , Scriven Joffrey , Rubens Julien , Vander Wee‐Léonard Milan , Daenen Martin , Gillard Martin , Elias Benjamin , Troian‐Gautier Ludovic 
Published: August 2024

AbstractThe one‐pot synthesis of a total of 32 ruthenium(II) and osmium(II) photosensitizers bearing substituted 2,2’‐bipyridines, 1,10‐phenanthrolines, and diaza ligands is reported. Whereas most of these photosensitizers were already reported in the literature, the present study offers extensive datasets of ground‐ and excited‐state properties highly desirable for future development in e. g., machine learning, artificial intelligence, and photoredox catalysis. All photosensitizers absorbed light intensely in the visible part of the spectrum, with the Os(II) photosensitizers absorbing further into the red part. Excited‐state lifetimes and photoluminescence quantum yields were generally larger for Ru(II) photosensitizers than for Os(II) analogs, which agrees with the energy gap law. The excited‐state redox potentials were determined for all investigated photosensitizers covering a range of −0.21 to −1.35 V vs. SCE for excited‐state oxidation and 0.14 to 1.48 V vs. SCE for excited‐state reduction. A procedure for counterion exchange to generate the corresponding PF6−, Cl−, BF4−, NO3−, OTf−, ClO4−, and BArF− is reported for six photosensitizers. The synthetic ease, detailed report of fundamental photophysical properties, and a broad range of excited‐state redox potentials open opportunities for systematic investigations in several applications and further streamline developments in photoredox catalysis.
Highly Stable Subnanometric PtIn Clusters for the Selective Dehydrogenation of Alkanes
Authors: Li Chengeng , Meyer Randall J. , Yacob Sara , Gomez Elaine , Lopez‐Haro Miguel , Calvino Jose J. , Moliner Manuel , Serna Pedro , Corma Avelino 
Published: August 2024

AbstractSubnanometric PtIn clusters have been synthesized within pure silica MFI zeolites by post‐synthetic incorporation of In to Pt@K‐MFI. The optimized PtIn@K‐MFI catalyst outcompetes state‐of‐the‐art PtSn formulations in ethane and propane dehydrogenations, avoiding the need of large excess of Pt promoters and harsh reductive conditions.
Hierarchically Porous Fe−N−C Single‐Atom Catalysts via Ionothermal Synthesis for Oxygen Reduction Reaction
Authors: Kisand Kaarel , Sarapuu Ave , Douglin John C. , Kikas Arvo , Käärik Maike , Kozlova Jekaterina , Aruväli Jaan , Treshchalov Alexey , Leis Jaan , Kisand Vambola , Kukli Kaupo , Dekel Dario R. , Tammeveski Kaido 
Published: August 2024

AbstractPlatinum group metal (PGM)‐free electrocatalysts have emerged as promising alternatives to replace Pt for the oxygen reduction reaction (ORR) in anion exchange membrane fuel cells (AEMFCs). However, traditional synthesis methods limit the single‐atom site density due to metal agglomeration at higher temperatures. This work explores the preparation of hierarchically porous atomically dispersed electrocatalysts for the ORR. The materials were prepared via ionothermal synthesis, where magnesium nitrate was used to prepare hierarchically porous carbon materials. The in‐situ formed Mg‐Nx sites were trans‐metalated to yield ORR‐active Fe‐Nx sites. The resulting carbon‐based catalysts displayed excellent electrocatalytic activity, attributed to the atomically dispersed Fe‐Nx active sites and high meso‐ and macroporosity that enhanced the mass transport and exposed more accessible active sites.
Extracellular vesicles as the next‐generation modulators of pharmacokinetics and pharmacodynamics of medications and their potential as adjuvant therapeutics
Authors: Liu Jiaqi , Nordin Joel Z. , McLachlan Andrew J. , Chrzanowski Wojciech 
Published: August 2024

AbstractBackground and main bodyPharmacokinetics (PK) and pharmacodynamics (PD) are central concepts to guide the dosage and administration of drug therapies and are essential to consider for both healthcare professionals and researchers in therapeutic planning and drug discovery. PK/PD properties of a drug significantly influence variability in response to treatment, including therapeutic failure or excessive medication‐related harm. Furthermore, suboptimal PK properties constitute a significant barrier to further development for some candidate treatments in drug discovery. This article describes how extracellular vesicles (EVs) affect different aspects of PK and PD of medications and their potential to modulate PK and PD properties to address problematic PK/PD profiles of drugs. We reviewed EVs' intrinsic effects on cell behaviours and medication responses. We also described how surface and cargo modifications can enhance EV functionalities and enable them as adjuvants to optimise the PK/PD profile of conventional medications. Furthermore, we demonstrated that various bioengineering strategies can be used to modify the properties of EVs, hence enhancing their potential to modulate PK and PD profile of medications.ConclusionThis review uncovers the critical role of EVs in PK and PD modulation and motivates further research and the development of assays to unfold EVs’ full potential in solving PK and PD‐related problems. However, while we have shown that EVs play a vital role in modulating PK and PD properties of medications, we postulated that it is essential to define the context of use when designing and utilising EVs in pharmaceutical and medical applications.Highlights
Existing solutions for pharmacokinetics and pharmacodynamics modulation are limited.
Extracellular vesicles can optimise pharmacokinetics as a drug delivery vehicle.
Biogenesis and administration of extracellular vesicles can signal cell response.
The pharmaceutical potential of extracellular vesicles can be enhanced by surface and cargo bioengineering.
When using extracellular vesicles as modulators of pharmacokinetics and pharmacodynamics, the ‘context of use’ must be considered.
Compensatory evolution of chromosomes and plasmids counteracts the plasmid fitness cost
Authors: Liu Ziyi , Zhao Qiuyun , Xu Chenggang , Song Houhui 
Published: August 2024

AbstractPlasmids incur a fitness cost that has the potential to restrict the dissemination of resistance in bacterial pathogens. However, bacteria can overcome this disadvantage by compensatory evolution to maintain their resistance. Compensatory evolution can occur via both chromosomes and plasmids, but there are a few reviews regarding this topic, and most of them focus on plasmids. In this review, we provide a comprehensive overview of the currently reported mechanisms underlying compensatory evolution on chromosomes and plasmids, elucidate key targets regulating plasmid fitness cost, and discuss future challenges in this field. We found that compensatory evolution on chromosomes primarily arises from mutations in transcriptional regulatory factors, whereas compensatory evolution of plasmids predominantly involves three pathways: plasmid copy number regulation, conjugation transfer efficiency, and expression of antimicrobial resistance (AMR) genes. Furthermore, the importance of reasonable selection of research subjects and effective integration of diverse advanced research methods is also emphasized in our future study on compensatory mechanisms. Overall, this review establishes a theoretical framework that aims to provide innovative ideas for minimizing the emergence and spread of AMR genes.
Alkali Metal Ion Tuning of a Crown Ether‐Appended Porphyrin for Electrocatalytic CO2 Reduction
Authors: Surendran Adarsh Koovakattil , Veenman Elija , Roithová Jana 
Published: August 2024

AbstractIron‐porphyrin systems are among the best catalysts to reduce selectively CO2 to CO. Electronic modification of the porphyrin skeleton by substituents can enhance the catalytic efficiency of the complexes. In this work, we modified the iron porphyrin complex with crown‐ether auxiliaries and tested the effect of complexation with alkali metals on their electrocatalytic properties for CO2 reduction. The presence of Na+ or K+ resulted in a positive shift of the onset potential by 210 mV while not compromising the catalytic current. This effect was maintained after the immobilization at the vulcanized carbon support, and the catalyst showed the Faradaic efficiency above 90 % for CO2 to CO reduction in aqueous solution of NaHCO3 or KHCO3 in a wide range of overpotentials. Hence, host‐guest chemistry at the periphery of the CO2 reduction catalysts can tune the electronic properties of the catalysts and thereby increase the catalytic efficiency.
Enhancing quality of life in epilepsy with a digital intervention (emyna): Results of the ELAINE randomized controlled trial
Authors: Meyer Björn , Betz Linda T. , Brückner Katja , Holtkamp Martin 
Published: August 2024

AbstractObjectiveDespite the availability of pharmacological treatment for seizures, people with epilepsy (PwE) commonly experience impairments in quality of life (QoL). Given the limited access to psychosocial treatments for PwE, digital interventions could bridge treatment gaps and help improve QoL. The objective of this study was to examine the effectiveness of emyna, a fully automated digital intervention based on cognitive behavioral therapy (CBT) techniques, in improving health‐related QoL among PwE who reported impairments in QoL. A previous trial showed that emyna was effective in improving depressive symptoms among PwE with a comorbid depressive disorder, but its effects on QoL among PwE without comorbid depression remain unknown.MethodsA pragmatic randomized controlled trial was conducted with N = 438 PwE (mean age = 37.5, 70.3% women, physician‐verified diagnoses) who were assigned to the intervention group (n = 216), which used emyna alongside treatment as usual (TAU), or the control group (n = 222), which received TAU only. QoL and secondary outcomes such as general self‐efficacy, medication adherence, general distress, and epilepsy‐related work and social adjustment were assessed at baseline, 3 months, and 6 months. The primary outcome was QoL assessed with the Quality of Life in Epilepsy [QOLIE‐31] total score at 3 months post‐randomization.ResultsFindings from the intent‐to‐treat analyses showed that after 3 months, participants in the intervention group experienced significant and clinically relevant improvements in health‐related QoL compared to the control group (baseline‐adjusted group difference = 4.5; 95% CI = [2.0, 6.9], p < 0.001; Cohen's d = 0.32). Effects on secondary outcomes did not reach statistical significance.SignificanceThis study extends previous research by demonstrating that emyna facilitates improvements in QoL in a diverse group of PwE treated in routine care settings. This CBT‐based digital intervention therefore presents a convenient and cost‐effective addition to healthcare providers' treatment repertoire.Plain Language SummaryIn our study, we tested a digital program called emyna, which conveys cognitive behavioral therapy (CBT) techniques to help improve the quality of life for people living with epilepsy. We found that those who used emyna alongside their usual treatments felt better about their quality of life compared to those who did not use the program. Emyna offers a new, convenient way for people with epilepsy to manage their condition, which can be used alongside currently available treatments.
A high‐order pure streamfunction method in general curvilinear coordinates for unsteady incompressible viscous flow with complex geometry
Authors: Wang Bo , Yu Peixiang , Tong Xin , Ouyang Hua 
Published: August 2024

AbstractIn this paper, a high‐order compact finite difference method in general curvilinear coordinates is proposed for solving unsteady incompressible Navier‐Stokes equations. By constructing the fourth‐order spatial discretization schemes for all partial derivative terms of the pure streamfunction formulation in general curvilinear coordinates, especially for the fourth‐order mixed derivative terms, and applying a Crank‐Nicolson scheme for the second‐order temporal discretization, we extend the unsteady high‐order pure streamfunction algorithm to flow problems with more general non‐conformal grids. Furthermore, the stability of the newly proposed method for the linear model is validated by von‐Neumann linear stability analysis. Five numerical experiments are conducted to verify the accuracy and robustness of the proposed method. The results show that our method not only effectively solves problems with non‐conformal grids, but also allows grid generation and local refinement using commercial software. The solutions are in good agreement with the established numerical and experimental results.
Distinct oscillatory patterns differentiate between segregation and integration processes in perceptual grouping
Authors: Costa Gabriel Nascimento , Schaum Michael , Duarte João Valente , Martins Ricardo , Duarte Isabel Catarina , Castelhano João , Wibral Michael , Castelo‐Branco Miguel 
Published: August 2024

AbstractRecently, there has been a resurgence in experimental and conceptual efforts to understand how brain rhythms can serve to organize visual information. Oscillations can provide temporal structure for neuronal processing and form a basis for integrating information across brain areas. Here, we use a bistable paradigm and a data‐driven approach to test the hypothesis that oscillatory modulations associate with the integration or segregation of visual elements. Spectral signatures of perception of bound and unbound configurations of visual moving stimuli were studied using magnetoencephalography (MEG) in ambiguous and unambiguous conditions. Using a 2 × 2 design, we were able to isolate correlates from visual integration, either perceptual or stimulus‐driven, from attentional and ambiguity‐related activity. Two frequency bands were found to be modulated by visual integration: an alpha/beta frequency and a higher frequency gamma‐band. Alpha/beta power was increased in several early visual cortical and dorsal visual areas during visual integration, while gamma‐band power was surprisingly increased in the extrastriate visual cortex during segregation. This points to an integrative role for alpha/beta activity, likely from top‐down signals maintaining a single visual representation. On the other hand, when more representations have to be processed in parallel gamma‐band activity is increased, which is at odds with the notion that gamma oscillations are related to perceptual coherence. These modulations were confirmed in intracranial EEG recordings and partially originate from distinct brain areas. Our MEG and stereo‐EEG data confirms predictions of binding mechanisms depending on low‐frequency activity for long‐range integration and for organizing visual processing while refuting a straightforward correlation between gamma‐activity and perceptual binding.Practitioner Points
Distinct neurophysiological signals underlie competing bistable percepts.
Increased alpha/beta activity correlate with visual integration while gamma correlates with segmentation.
Ambiguous percepts drive alpha/beta activity in the posterior cingulate cortex.
Emotional concepts shape the perceptual representation of body expressions
Authors: Liu Shuaicheng , He Weiqi , Zhang Mingming , Li Yiwen , Ren Jie , Guan Yuanhao , Fan Cong , Li Shuaixia , Gu Ruolei , Luo Wenbo 
Published: August 2024

AbstractEmotion perception interacts with how we think and speak, including our concept of emotions. Body expression is an important way of emotion communication, but it is unknown whether and how its perception is modulated by conceptual knowledge. In this study, we employed representational similarity analysis and conducted three experiments combining semantic similarity, mouse‐tracking task, and one‐back behavioral task with electroencephalography and functional magnetic resonance imaging techniques, the results of which show that conceptual knowledge predicted the perceptual representation of body expressions. Further, this prediction effect occurred at approximately 170 ms post‐stimulus. The neural encoding of body expressions in the fusiform gyrus and lingual gyrus was impacted by emotion concept knowledge. Taken together, our results indicate that conceptual knowledge of emotion categories shapes the configural representation of body expressions in the ventral visual cortex, which offers compelling evidence for the constructed emotion theory.
Comparative analysis of school food policies in Australian jurisdictions: Insights for more effective policy action
Authors: Masila Nicodemus , Smith Kylie J. , Waddingham Suzanne , Jose Kim 
Published: August 2024

AbstractIssue AddressedSchool food policies in Australia have the potential to positively impact healthy eating in schools. While the policies are reviewed regularly, it is unknown if revised school food policies have incorporated the recommendations from a 2020 review of nutrition policies in publicly funded institutions. This review aims to examine the current state of Australian school food policy environment, including national‐level guidelines, food safety, allergy, and anaphylaxis management policies.MethodsSchool food policy documents were identified by searching the federal government, and Departments of Health and Education websites of Australian jurisdictions. The L'Abbé framework for monitoring and evaluation of nutrition policies guided the data analysis.ResultsEleven policies/guidelines from Australian national and state/territory governments were reviewed in 2023. Four state/territory policies had major updates since 2020. The consistency of nutrition standards improved across five jurisdictions, although a common nutrient classification system would have allowed better comparison. Implementation guides/tools and supporting resources were provided in all policies although their comprehensiveness varied. Policy monitoring and evaluation guide/tools, and local food procurement were incorporated in two additional policies. School principals were responsible for policy implementation and schools for independent compliance monitoring.ConclusionContinued improvement in monitoring and evaluation plans, policy review timelines, and support systems for schools is needed to enhance implementation and impact of school food policies. External stakeholder support may help school leadership in more effective policy implementation.So What?Limited progress in incorporating recommendations into current school food policies calls for additional support and strategies to enhance policy implementation and monitoring.
Spatio‐temporal analysis of snow depth and snow water equivalent in a mountainous catchment: Insights from in‐situ observations and statistical modelling
Authors: Çitgez Tarık , Eker Remzi , Aydın Abdurrahim 
Published: August 2024

AbstractThis research, conducted in the mountainous catchment near Abant Lake in the Western Black Sea region of Türkiye, aimed to investigate the spatiotemporal variations of snow depth (SD) and snow water equivalent (SWE) throughout the snow season from December 2019 to March 2020, encompassing both accumulation and melting periods. In total, 14 snow surveys were conducted, covering 58 permanent snow measurement points (PSMP) marked with snow poles. The classification and regression tree (CART) method was employed to statistically analyse their relationships with eight variables: snow period, forest canopy, aspect, slope, elevation, slope position, plan and profile curvature. The root mean square error (RMSE) for SD and SWE was determined to be 0.15 m and 46 mm, respectively. The study findings revealed that mean SD and SWE values were higher in forest gaps compared with under‐forest and open areas. Although the snow cover disappeared earliest in under‐forest areas, the melting rate was observed to be 43% and 17% slower compared with forest gaps and open areas, respectively. Wind redistribution resulted in minimum snow accumulation on western aspects, upper slope positions and ridges, while maximum accumulation was observed on southern aspects, valleys and lower slope positions. Higher elevations (>1580 meters) experienced faster snow melting rates, leading to earlier disappearance of snow cover. PSMPs located on slopes with lower degrees (<15°) exhibited lesser accumulation and earlier snow disappearance. The CART model identified the snow period as the most significant factor in predicting SD and SWE, based on variations in snowfall and air temperature. Other significant variables included forest canopy, aspect and elevation. The study suggests that the CART method is well‐suited for modelling complex snow dynamics, providing valuable insights into spatiotemporal variations in SD and SWE in mountainous regions.