bluuebunny/crossref_metadata_2025_split huggingface dataset:
Evolution history and the importance of genomic diversity facing climate change. The case of Agave marmorata Roezl., a microendemic agave used for mezcal production
Authors: Ruiz‐Mondragón Karen Y. , Klimova Anastasia , Valiente‐Banuet Alfonso , Lira Rafael , Eguiarte Luis E. 
Published: June 2024

Social Impact StatementFor hundreds of years, Agave marmorata plants have been used in the production of alcoholic beverages in Mexico. This species is very important in small‐scale rural economies because it is a large plant, yielding five liters of mezcal. However, the production of these beverages takes place when it reaches its reproductive stage, which takes up to 35 years. Due to its slow maturation and high demand, it is considered an endangered species. Therefore, as a conservation strategy, this study proposes the creation of nurseries, genetic breeding programs, and demographic monitoring of wild populations to counteract the extraction of wild plants and, the conservation of the genetic diversity.Summary

Agave marmorata Roezl., is an endemic species distributed in the states of Oaxaca and Puebla, Mexico, and locally is widely used to produce mezcal.
We assessed the genomic diversity and differentiation using the RADseq method and 29,101 high‐quality single nucleotide polymorphisms (SNPs) in wild plants and grown under three different management types (cultivated, plants used as live fences, and young plants growing in nurseries). We examined the demographic history and used species distribution modeling to understand the future of A. marmorata under scenarios of climate change.
We found high levels of genomic diversity (HS = 0.229) and moderate levels of inbreeding (FIS = 0.106 and Fhat3 = 0.190). The cultivated samples harbored less genetic diversity than the wild plants. Furthermore, we estimated low differentiation between cultivated and wild localities (FST = 0.037). In the wild samples, we identified two main genetic groups, one in the East and another in the West of its distribution area. This genetic structure possibly derived from a population contraction during the Pleistocene (~216,879.75 BP) and the formation of two refugia in small areas with climatic stability. Furthermore, the demographic reconstruction indicated that A. marmorata went through a recent population expansion event, with a large current Ne (Ne = 8,009). The future climate change models indicated contrasting possible changes in its distribution range, from an increase to the reduction of its suitable habitat, differences related to model parametrization, and future levels of CO2 production.
We propose conservation measures for the different management types of the species while also considering the biotic and abiotic interactions of Agave marmorata.
Target‐based discovery of antagonists of the tick (Rhipicephalus microplus) kinin receptor identifies small molecules that inhibit midgut contractions
Authors: Henriques‐Santos Bianca Monteiro , Baker Dwight , Zhou Nian , Snavely Thomas , Sacchettini James C. , Pietrantonio Patricia V. 
Published: June 2024

AbstractBACKGROUNDA GPCR (G protein‐coupled receptor) target‐based approach was applied to identify antagonists of the arthropod‐specific tick kinin receptor. These small molecules were expected to reproduce the detrimental phenotypic effects that had been observed in Rhipicephalus microplus females when the kinin receptor was silenced by RNA interference. Rhipicephalus microplus, the southern cattle tick, cattle fever tick, or Asian blue tick, is the vector of pathogenic microorganisms causing the deadly bovine babesiosis and anaplasmosis. The widespread resistance to acaricides in tick populations worldwide emphasizes that exploring novel targets for effective tick control is imperative.RESULTSFifty‐three structural analogs of previously identified tick kinin antagonists were screened in a ‘dual‐addition’ calcium fluorescence assay using a CHO‐K1 cell line expressing the tick kinin receptor. Seven molecules were validated as non‐cytotoxic antagonists, four of which were partial (SACC‐0428764, SACC‐0428780, SACC‐0428800, and SACC‐0428803), and three were full antagonists (SACC‐0428799, SACC‐0428801, and SACC‐0428815). Four of these antagonists (SACC‐0428764, SACC‐0428780, SACC‐0428799, and SACC‐0428815) also inhibited the tick midgut contractions induced by the myotropic kinin agonist analog 1728, verifying their antagonistic bioactivity. The small molecules were tested on recombinant human neurokinin (NK) receptors, the one most similar to the invertebrate kinin receptors. Most molecules were inhibitors of the NK1 receptor, except SACC‐0412066, a previously identified tick kinin receptor antagonist, which inhibited the NK1 receptor only at the highest concentration tested (25 μm). None of the molecules inhibited the NK3 human receptor.CONCLUSIONMolecules identified through this approach could be useful probes for studying the tick kinin signaling system and midgut physiology. © 2024 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Hepatic OATP1B zonal distribution: Implications for rifampicin‐mediated drug–drug interactions explored within a PBPK framework
Authors: Hartauer Mattie , Murphy William A. , Brouwer Kim L. R. , Southall Roz , Neuhoff Sibylle 
Published: June 2024

AbstractOATP1B facilitates the uptake of xenobiotics into hepatocytes and is a prominent target for drug–drug interactions (DDIs). Reduced systemic exposure of OATP1B substrates has been reported following multiple‐dose rifampicin; one explanation for this observation is OATP1B induction. Non‐uniform hepatic distribution of OATP1B may impact local rifampicin tissue concentrations and rifampicin‐mediated protein induction, which may affect the accuracy of transporter‐ and/or metabolizing enzyme‐mediated DDI predictions. We incorporated quantitative zonal OATP1B distribution data from immunofluorescence imaging into a PBPK modeling framework to explore rifampicin interactions with OATP1B and CYP substrates. PBPK models were developed for rifampicin, two OATP1B substrates, pravastatin and repaglinide (also metabolized by CYP2C8/CYP3A4), and the CYP3A probe, midazolam. Simulated hepatic uptake of pravastatin and repaglinide increased from the periportal to the pericentral region (approximately 2.1‐fold), consistent with OATP1B distribution data. Simulated rifampicin unbound intracellular concentrations increased in the pericentral region (1.64‐fold) compared to simulations with uniformly distributed OATP1B. The absolute average fold error of the rifampicin PBPK model for predicting substrate maximal concentration (Cmax) and area under the plasma concentration–time curve (AUC) ratios was 1.41 and 1.54, respectively (nine studies). In conclusion, hepatic OATP1B distribution has a considerable impact on simulated zonal substrate uptake clearance values and simulated intracellular perpetrator concentrations, which regulate transporter and metabolic DDIs. Additionally, accounting for rifampicin‐mediated OATP1B induction in parallel with inhibition improved model predictions. This study provides novel insight into the effect of hepatic OATP1B distribution on site‐specific DDI predictions and the impact of accounting for zonal transporter distributions within PBPK models.
Plant spatial configurations and their influences on phenological traits of cereal and legume crops under maize‐based intercropping systems
Authors: Kinyua Michael W. , Mucheru‐Muna Monicah W. , Bolo Peter , Kihara Job 
Published: June 2024

AbstractIntroductionIntercropping systems have a great potential for crop diversification thus increasing smallholder systems' resilience to climate change while improving soil health. However, optimal benefits associated with intercropping systems are rarely realised because of the interspecific competition for growth resources among the intercropped species.MethodologySix trials were established in the high and low rainfall agroecological zones of Babati district in Tanzania to assess how promising cropping systems with different plant spatial configurations would influence the phenological development of intercropped maize, bean and pigeonpea. Cropping systems under study included a sole maize system rotated with a pigeonpea‐bean intercrop dubbed Doubled‐up legume (DUL), maize‐pigeonpea system both with and without de‐topping, an innovation comprising double maize rows alternated with pigeonpea and beans (Mbili‐Mbili), maize‐pigeonpea system with two maize seeds sown within a 50 cm intra‐row space, a vertical‐architecture Meru H513‐pigeonpea system and a farmer practice.ResultsBranch formation was significantly higher in DUL than in maize‐based systems (p ≤ 0.05). Seasonal weather had upto 30% influence on pigeonpea flowering, with DUL having highest (p ≤ 0.05) flower production. The rate of pigeonpea branch and flower production in Mbili‐Mbili was stable across seasons relative to other maize‐pigeonpea systems. Doubled‐up legume and farmer practice had pigeonpea litter yield of between 1 and 2 t ha−1which was at least 0.5 t ha−1higher than in maize‐based systems (p ≤ 0.05). During the period preceding early maize reproductive stages, Mbili‐Mbili increased light interception by 30% and 63% compared to maize‐based systems and DUL, respectively. Maize toppings had higher (94%) P content than stover biomass that remained until harvest.ConclusionOverall, maize‐legume systems had higher intercropping efficacy than sole maize system, both in interception use efficiency, soil mulch cover, among other soil health benefits. Mbili‐Mbili and DUL also had increased phenological benefits on intercropped legumes however, the latter was prone to seasonal weather variability.
Recent Advances in Poly‐Heptazine Imide and Based Materials for Photocatalytic Hydrogen Evolution
Authors: Rana Sahil , Kumar Amit , Sharma Gaurav , Dhiman Pooja , Wang Tongtong 
Published: June 2024

AbstractThis review presents an overview of recent developments and advancements in the field of photocatalytic hydrogen evolution using poly(heptazine imide) (PHI) and based materials. Photocatalytic hydrogen evolution (PHE) has received great amount of attention because of its potential as a clean and sustainable energy source and PHI based materials have emerged as promising candidates for this purpose due to their distinct structural properties, improved light absorption, charge separation and reduced recombination. This review discusses the essential concepts of PHE and the potential of poly(heptazine imide) materials and their derivatives as photocatalysts and also the limitations of these materials in photocatalytic activity. It addresses the synthetic routes and strategies adopted to enhance the photocatalytic activity of these materials including surface modifications, band engineering, doping, loading co‐catalysts and composites & heterojunction construction. Furthermore, the recent works in photocatalytic H2 evolution using PHI and based materials have been summarized and discussed. Additionally, we examined the challenges and future outlooks in this field, emphasizing the need for scalable and cost‐effective production methods.
Multimaterial Printing of Serpentine Microarchitectures with Synergistic Mechanical/Piezoelectric Stimulation for Enhanced Cardiac‐Specific Functional Regeneration
Authors: Han Kang , Mao Mao , Fu Liyan , Zhang Yabo , Kang Yuming , Li Dichen , He Jiankang 
Published: June 2024

AbstractRecreating the natural heart's mechanical and electrical environment is crucial for engineering functional cardiac tissue and repairing infarcted myocardium in vivo. In this study, multimaterial‐printed serpentine microarchitectures are presented with synergistic mechanical/piezoelectric stimulation, incorporating polycaprolactone (PCL) microfibers for mechanical support, polyvinylidene fluoride (PVDF) microfibers for piezoelectric stimulation, and magnetic PCL/Fe3O4 for controlled deformation via an external magnet. Rat cardiomyocytes in piezoelectric constructs, subjected to dynamic mechanical stimulation, exhibit advanced maturation, featuring superior sarcomeric structures, improved calcium transients, and upregulated maturation genes compared to non‐piezoelectric constructs. Furthermore, these engineered piezoelectric cardiac constructs demonstrate significant structural and functional repair of infarcted myocardium, as evidenced by enhanced ejection and shortening fraction, reduced fibrosis and inflammation, and increased angiogenesis. The findings underscore the therapeutic potential of piezoelectric cardiac constructs for myocardial infarction therapy.
Coordination Structure Modulation in Group‐VIB Metal Doped Ag3PO4 Augments Active Site Density for Electrocatalytic Conversion of N2 to NH3
Authors: Biswas Ashmita , Sharma Mamta Devi , Kapse Samadhan , Samui Surajit , Thapa Ranjit , Gupta Santosh , Sudarshan Kathi , Dey Ramendra Sundar 
Published: June 2024

AbstractDoping is considered a promising material engineering strategy in electrochemical nitrogen reduction reaction (NRR), provided the role of the active site is rightly identified. This work concerns the doping of group VIB metal in Ag3PO4 to enhance the active site density, accompanied by d‐p orbital mixing at the active site/N2 interface. Doping induces compressive strain in the Ag3PO4 lattice and inherently accompanies vacancy generation, the latter is quantified with positron annihilation lifetime studies (PALS). This eventually alters the metal d‐electronic states relative to Fermi level and manipulate the active sites for NRR resulting into side‐on N2 adsorption at the interface. The charge density deployment reveals Mo as the most efficient dopant, attaining a minimum NRR overpotential, as confirmed by the detailed kinetic study with the rotating ring disk electrode (RRDE) technique. In fact, the Pt ring of RRDE fails to detect N2H4, which is formed as a stable intermediate on the electrode surface, as identified from in‐situ attenuated total reflectance‐infrared (ATR‐IR) spectroscopy. This advocates the complete conversion of N2 to NH3 on Mo/Ag3PO4‐10 and the so‐formed oxygen vacancies formed during doping act as proton scavengers suppressing hydrogen evolution reaction resulting into a Faradaic efficiency of 54.8% for NRR.
TiO2 Films with Macroscopic Chiral Nematic‐Like Structure Stabilized by Copper Promoting Light‐Harvesting Capability for Hydrogen Generation
Authors: Wang Cong , Mouchet Sébastien R. , Deparis Olivier , Li Jingwei , Paineau Erwan , Dragoe Diana , Remita Hynd , Ghazzal Mohamed Nawfal 
Published: June 2024

AbstractCellulose nanocrystals (CNCs) have inspired the synthesis of various advanced nanomaterials, opening opportunities for different applications. However, a simple and robust approach for transferring the long‐range chiral nematic nanostructures into TiO2 photocatalyst is still fancy. Herein, a successful fabrication of freestanding TiO2 films maintaining their macroscopic chiral nematic structures after removing the CNCs biotemplate is reported. It is demonstrated that including copper acetate in the sol avoids the epitaxial growth of the lamellar‐like structure of TiO2 and stabilizes the chiral nematic structure instead. The experimental results and optical simulation demonstrate an enhancement at the blue and red edges of the Fabry‐Pérot reflectance peak located in the visible range. This enhancement arises from the light scattering effect induced by the formation of the chiral nematic structure. The nanostructured films showed 5.3 times higher performance in the photocatalytic hydrogen generation, compared to lamellar TiO2, and benefited from the presence of copper species for charge carriers’ separation. This work is therefore anticipated to provide a simple approach for the design of chiral nematic photocatalysts and also offers insights into the electron transfer mechanisms on TiO2/CuxO with variable oxidation states for photocatalytic hydrogen generation.
Revealing the Synergistic Effect of Cation and Anion Vacancies on Enhanced Fenton‐Like Reaction: The Electron Density Modulation of O 2p−Co 3d Bands
Authors: Fang Zhimo , Zhou Zhou , Zeng Zepeng , Xia Yuan‐gu , Liu Ji , Hu Bin , Li Kai , Li Ji‐hong , Lu Qiang 
Published: June 2024

AbstractDefect engineering is considered as a flexible and effective mean to improve the performance of Fenton‐like reactions. Herein, a simple method is employed to synthesize Co3O4 catalysts with Co‐O vacancy pairs (VP) for peroxymonosulfate (PMS) activation. Multi‐scaled characterization, experimental, and simulation results jointly revealed that the cation vacancies‐VCo contributed to enhanced conductivity and anion vacancies‐VO provided a new active center for the 1O2 generation. Co3O4‐VP can optimize the O 2p and Co 3d bands with the strong assistance of synergistic double vacancies to reduce the reaction energy barrier of the “PMS → Co(IV) = O → 1O2” pathway, ultimately triggering the stable transition of mechanism. Co3O4‐VP catalysts with radical‐nonradical collaborative mechanism achieve the synchronous improvement of activity and stability, and have good environmental robustness to favor water decontamination applications. This result highlights the possibility of utilizing anion and cation vacancy engineering strategies to rational design Co3O4‐based materials widely used in catalytic reactions.
Minimization of Energy Level Mismatch of PCBM and Surface Passivation for Highly Stable Sn‐Based Perovskite Solar Cells by Doping n‐Type Polymer
Authors: Kayesh Md. Emrul , Karim Md. Abdul , He Yulu , Shirai Yasuhiro , Yanagida Masatoshi , Islam Ashraful 
Published: June 2024

AbstractDeveloping high‐performance and stable Sn‐based perovskite solar cells (PSCs) is difficult due to the inherent tendency of Sn2+ oxidation and, the huge energy mismatch between perovskite and Phenyl‐C61‐butyric acid methyl ester (PCBM), a frequently employed electron transport layer (ETL). This study demonstrates that perovskite surface defects can be passivated and PCBM's electrical properties improved by doping n‐type polymer N2200 into PCBM. The doping of PCBM with N2200 results in enhanced band alignment and improved electrical properties of PCBM. The presence of electron‐donating atoms such as S, and O in N2200, effectively coordinates with free Sn2+ to prevent further oxidation. The doping of PCBM with N2200 offers a reduced conduction band offset (from 0.38 to 0.21 eV) at the interface between the ETL and perovskite. As a result, the N2200 doped PCBM‐based PSCs show an enhanced open circuit voltage of 0.79 V with impressive power conversion efficiency (PCE) of 12.98% (certified PCE 11.95%). Significantly, the N2200 doped PCBM‐based PSCs exhibited exceptional stability and retained above 90% of their initial PCE when subjected to continuous illumination at maximum power point tracking for 1000 h under one sun.
An Organic–Inorganic Hydrogel with Exceptional Mechanical Properties via Anion‐Induced Synergistic Toughening for Accelerating Osteogenic Differentiation
Authors: Luo Hongmei , Mu Qifeng , Zhu Ruijie , Li Min , Shen Huanwei , Lu Honglang , Hu Longyu , Tian Jiajun , Cui Wei , Ran Rong 
Published: June 2024

AbstractMineralized bio‐tissues achieve exceptional mechanical properties through the assembly of rigid inorganic minerals and soft organic matrices, providing abundant inspiration for synthetic materials. Hydrogels, serving as an ideal candidate to mimic the organic matrix in bio‐tissues, can be strengthened by the direct introduction of minerals. However, this enhancement often comes at the expense of toughness due to interfacial mismatch. This study reveals that extreme toughening of hydrogels can be realized through simultaneous in situ mineralization and salting‐out, without the need for special chemical modification or additional reinforcements. The key to this strategy lies in harnessing the kosmotropic and precipitation behavior of specific anions as they penetrate a hydrogel system containing both anion‐sensitive polymers and multivalent cations. The resulting mineralized hydrogels demonstrate significant improvements in fracture stress, fracture energy, and fatigue threshold due to a multiscale energy dissipation mechanism, with optimal values reaching 12 MPa, 49 kJ m−2, and 2.98 kJ m−2. This simple strategy also proves to be generalizable to other anions, resulting in tough hydrogels with osteoconductivity for promoting in vitro mineralization of human adipose‐derived mesenchymal stem cells. This work introduces a universal route to toughen hydrogels without compromising other parameters, holding promise for biological applications demanding integrated mechanical properties.
A service‐oriented approach to clinical trial recruitment for dementia and brain health: Methods and case examples of MyAlliance for Brain Health
Authors: Vidoni Eric D. , Swinford Emma , Barton Kelli , Perales‐Puchalt Jaime , Niedens C. Michelle , Lewandowski Tina , Schwasinger‐Schmidt Tiffany , Peltzer Jill , Wurth JoEllen , Berkley‐Patton Jannette , Townley Ryan A. , Moore W. Todd , Shaw Ashley R. , Key Mickeal N. , Andrade Erica , Robinson Melissa , Sprague Susan , Bondurant Aiden , Brook Debra , Freund Jennifer , Burns Jeffrey M. 
Published: June 2024

AbstractINTRODUCTIONRecruitment of sufficient and diverse participants into clinical research for Alzheimer's disease and related dementias remains a formidable challenge. The primary goal of this manuscript is to provide an overview of an approach to diversifying research recruitment and to provide case examples of several methods for achieving greater diversity in clinical research enrollment.METHODSThe University of Kansas Alzheimer's Disease Research Center (KU ADRC) developed MyAlliance for Brain Health (MyAlliance), a service‐oriented recruitment model. MyAlliance comprises a Primary Care Provider Network, a Patient and Family Network, and a Community Organization Network, each delivering tailored value to relevant parties while facilitating research referrals.RESULTSWe review three methods for encouraging increased diversity in clinical research participation. Initial outcomes reveal an increase in underrepresented participants from 17% to 27% in a research registry. Enrollments into studies supported by the research registry experienced a 51% increase in proportion of participants from underrepresented communities.DISCUSSIONMyAlliance shifts power, resources, and knowledge to community advocates, promoting brain health awareness and research participation, and demands substantial financial investment and administrative commitment. MyAlliance offers valuable lessons for building sustainable, community‐centered research recruitment infrastructure, emphasizing the importance of localized engagement and cultural understanding.Highlights
MyAlliance led to a significant increase in the representation of underrepresented racial and ethnic groups and individuals from rural areas.
The service‐oriented approach facilitated long‐term community engagement and trust‐building, extending partnerships between an academic medical center and community organizations.
While effective, MyAlliance required substantial financial investment, with costs including infrastructure development, staff support, partner organization compensation, and promotional activities, underscoring the resource‐intensive nature of inclusive research recruitment efforts.