bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lagrange's Theorem for Hopf Monoids in Species
Authors: Aguiar Marcelo , Lauve Aaron 
Published: December 2011

AbstractFollowing Radford's proof of Lagrange's theorem for pointed Hopf algebras, we prove Lagrange‘s theorem for Hopf monoids in the category of connected species. As a corollary, we obtain necessary conditions for a given subspecieskof a Hopf monoidhto be a Hopf submonoid: the quotient of any one of the generating series ofhby the corresponding generating series ofkmust have nonnegative coefficients. Other corollaries include a necessary condition for a sequence of nonnegative integers to be the dimension sequence of a Hopfmonoid in the formof certain polynomial inequalities and of a set-theoretic Hopf monoid in the form of certain linear inequalities. The latter express that the binomial transform of the sequence must be nonnegative.
Comprehensive Defect Suppression in Te‐Doped Cs2ZrCl6 Perovskite Nanoparticles for Highly Efficient and Thermally Stable White Light‐Emitting Diodes
Authors: Yang Chaojun , Tian Xiangdan , Huang Guangguang , Xiong Xinyang , Sun Kaiwei , Zhang Bo , Wang Shujie , Du Zuliang 
Published: June 2024

AbstractCesium zirconium halide (e.g., Cs2ZrCl6:Te or CZCT) perovskites have garnered significant interest due to their unique optical properties. However, there have been no reports of CZCT perovskite nanoparticles (PNPs) that simultaneously offer high efficiency and thermal stability. Here, a comprehensive defect suppression strategy is reported to achieve CZCT PNPs with these attributes. First, the inner defects of CZCT perovskite microcrystals (PMCs) are minimized by controlling crystallization kinetics precisely. Second, the PNPs are obtained from PMCs via top‐down fabrication, and the surface defects of PNPs are passivated via the hydroxyl groups of alkyl‐terminated silica‐oligomer shell (ASO). The resulting CZCT@ASO PNPs show the highest photoluminescence quantum yield (PLQY) of 96% and high thermal stability among the reported conventional CZCT emitters. Finally, white light‐emitting diodes (WLEDs) are integrated by using CZCT@ASO PNPs as the down‐color converters, achieving a color coordinate of (0.31, 0.33) and a color rendering index of 86. These results demonstrate that core/shell CZCT@ASO PNPs have great potential as phosphors for lighting applications.
Non‐Ti (M2X and M3X2) MXenes for Energy Storage/Conversion
Authors: Hussain Iftikhar , Hanan Abdul , Bibi Faiza , Kewate Onkar Jaywant , Javed Muhammad Sufyan , Zhang Kaili 
Published: June 2024

AbstractMXenes, with a particular emphasis on Ti3C2 (M3X2) have been extensively studied and established as the foundational material for 2D MXenes. However, the exploration of other transitional metals as 2D MXenes holds great promise, offering applications beyond the existing knowledge. Non‐Ti (M2X and M3X2) MXenes have garnered attention due to their distinctive properties. This review article focuses on explaining the potential and challenges of non‐Ti (M2X and M3X2) MXenes in energy storage and conversion systems, specifically in the domains of supercapacitors, batteries (Li‐ion and Li‐S), oxygen evolution reaction (OER), hydrogen evolution reaction (HER), and oxygen reduction reaction (ORR). By providing a comprehensive overview of the current progress and addressing the associated challenges, this review offers valuable insights into the future prospects of not only non‐Ti (M2X and M3X2) MXenes but also other MXenes for energy storage and conversion. The findings presented herein pave the way for further research and multifaceted applications of these MXenes across various fields.
Visible Light‐Promoted Mono‐Bromination of Aniline Derivatives and Nitrogen‐Containing Heterocyclic Compounds via Electron Donor‐Acceptor Complex
Authors: Sun Wenmo , Yang Wenjing , Cheng Hongying , Zhou Cong‐Ying , Guo Zhen 
Published: June 2024

AbstractWe present a successful development of a photo‐induced mono‐bromination method for anilines, which eliminates the requirement for photocatalysts and excess bromine sources. Experimental investigations, complemented by computational analyses, establish that this method operates via the formation of an electron donor‐acceptor (EDA) complex. This innovative approach enables the synthesis of highly regioselective mono‐brominated products across a diverse range of substrates, all achieved under mild reaction conditions.
Fabrication and application of carrier‐free and carrier‐based nanopesticides in pest management
Authors: Dong Wenhao , Ren Yipeng , Xue Huaijun 
Published: June 2024

AbstractPesticides are widely used for pest control to promote sustained and stable growth of agricultural production. However, indiscriminate pesticide usage poses a great threat to environmental and human health. In recent years, nanotechnology has shown the ability to increase the performance of conventional pesticides and has great potential for improving adhesion to crop foliage, solubility, stability, targeted delivery, and so forth. This review discusses two types of nanopesticides, namely, carrier‐free nanopesticides and carrier‐based nanopesticides, that can precisely release necessary and sufficient amounts of active ingredients. At first, the basic characterization and preparation methods of these two distinct types of nanopesticides are briefly summarized. Subsequently, current applications and future perspectives on scientific examples and strategies for promoting the usage efficacy and reducing the environmental risks of these nanopesticides were also described. Overall, nanopesticides can promote higher crop yields and lay the foundation for sustainable agriculture and global food security.
Effect of different exfoliation routes on the properties of chicken feather and elephant grass hybrid biochar
Authors: Ezzat Abdelrahman O. , Iwuozor Kingsley O. , Al‐Dhayan Dhaifallah , Al‐Lohedan Hamad A. , Micheal Kehinde Temitope , Emenike Ebuka Chizitere , Ogundana Motunrayo R. , Micheal Taiwo Temitayo , Oyekunle Ifeoluwa Peter , Al‐Tilasi Hissah H. , Adeniyi Adewale George 
Published: June 2024

AbstractLiquid‐phase exfoliation, a technique for enhancing the properties of biochar, has been recognized as effective, circumventing the limitations of other methods such as high expenses, scalability, and complexity. This study explored the synergistic effect achieved by combining chicken feathers with elephant grass to create a composite feedstock for biochar production. The biochar was subjected to liquid‐phase exfoliation using acid and acetone. Elemental analysis indicated that the co‐carbonization of the combined biomass produced an enriched hybrid biochar. The oxygen content in both exfoliation routes (acid and acetone) increased, with an increase and decrease in carbon content in acetone and acid exfoliation, respectively. Textural analysis revealed significant enhancement, with surface areas of the acid‐exfoliated biochar more than twice the size of the hybrid biochar. The pore volume of both exfoliated samples was double that of the hybrid biochar. Microscopic surface examination revealed rougher, porous structures in the exfoliated biochars in comparison with the smooth, cohesive surface in hybrid biochar. Functional group analysis showed the presence of aromatic rings, a carbocyclic group, and an alkene, suggesting potential applications in adsorption. This study provides an efficient method for using liquid‐phase exfoliation to enhance biochar properties, benefiting industries reliant on biochar production and biomass utilization by improving product quality, sustainability, and environmental impact.
Clinical importance of distinguishing true anemia from dilutional pseudo‐anemia: Consequences of a 3‐year follow‐up volume assessment in a heart failure patient
Authors: Schmidt Walter F. J. , Ahlgrim Christoph 
Published: June 2024

Key Clinical MessageIn chronic heart failure, dilutional anemia and hypervolemia may occur due to plasma volume expansion, the latter sometimes exacerbated by an increase in red cell volume. Diagnosis and a therapeutic strategy require determination of vascular volumes.
Spectroscopic Characterization of Ti Sites in MWW Zeolite in Presence of Hydrogen Peroxide
Authors: Rosso Francesca , Airi Alessia , Signorile Matteo , Bordiga Silvia , Crocellà Valentina , Bonino Francesca 
Published: June 2024

AbstractTi‐MWW zeolite is a promising catalyst for partial oxidation reactions. In the present work, a Ti‐MWW sample with high TiO2 loading was synthesized. It was revealed that the Ti insertion in the purely siliceous MWW framework mainly occurs during the post treatment washing with HNO3, when the double structure directing agent synthetic method is used. By exploiting carbon monoxide, acetonitrile, pyridine and ammonia as probe molecules in infrared spectroscopy and diffuse reflectance ultraviolet spectroscopy, the acidic behavior of the Ti sites and the interaction of the Ti sites with hydrogen peroxide (H2O2) were revealed. The Ti Lewis acid sites showed stronger acidity than the one observed in Titanium Silicalite‐1 (TS‐1), with MFI framework. This is coherent with previously reported results, suggesting that a significative fraction of the Ti sites in Ti‐MWW are TiOH(SiO)3 instead of Ti(OSi)4. The Ti‐peroxo and ‐hydroperoxo complexes formed upon H2O2 were shown to be more labile than in TS‐1 and they were shown to be completely reversible upon calcination.
Advisory groups in realist reviews: Systematically mapping current research and recommendations for practice
Authors: Power Jessica , Dada Sara , Booth Andrew , De Brún Aoife , Gilmore Brynne 
Published: June 2024

AbstractIntroductionRealist reviews may involve groups or panels external to the research team who provide external and independent perspectives informing the review based on their experience of the topic area. These panels or groups are termed in this study as an “advisory group.” This study aims to map current practice of advisory groups in realist reviews and provide guidance for planning and reporting.MethodsA “best‐fit” framework synthesis methodology was used by first searching for a best‐fit framework and then conducting a systematic search to identify a sample of realist reviews and rapid realist reviews (RRRs) from the most recent year, 2021. Nine databases were searched: CINAHL Complete, Cochrane, Embase, ERIC, MEDLINE, PsycInfo, Social Services Abstracts, Sociological Abstracts, and Web of Science Core Collection. Screening and data extraction was conducted by two researchers. The chosen best‐fit framework (ACTIVE framework) informed the data extraction tool.ResultsOne hundred and seven reviews (93 realist reviews, 14 RRRs) were identified for inclusion. Of these, 40% (n = 37) of realist reviews and 71.5% (n = 10) of RRRs mentioned use of an advisory group, though there was considerable variation in terminology used. Individuals in advisory groups were involved at varying stages of the review and tended to bring experience in the topic area from the perspective of (i) a lived experience, i.e., patients, carers, family members (n = 15 realist reviews; n = 4 RRRs); (ii) professional experience, such as healthcare professionals (n = 20 realist reviews; n = 6 RRRs); or (iii) policy or research experience in the topic area (n = 19 realist reviews; n = 7 RRRs).ConclusionsThis study proposes a definition of advisory groups, considerations for advisory group use, and suggested items for reporting. The purpose of the advisory group should be carefully considered when deciding on their use in a realist review.
Electronic‐Structure Interpretation: How Much Do We Understand Ce L3 XANES?
Authors: Kvashnina Kristina O. 
Published: June 2024

AbstractHistorically, cerium has been attractive for pharmaceutical and industrial applications. The cerium atom has the unique ability to cycle between two chemical states (Ce(III) and Ce(IV)) and drastically adjust its electronic configuration: [Xe] 4f15d16s2 in response to a chemical reaction. Understanding how electrons drive chemical reactions is an important topic. The most direct way of probing the chemical and electronic structure of materials is by X‐ray absorption spectroscopy (XAS) or X‐ray absorption near‐edge structure (XANES) in high energy resolution fluorescence detection (HERFD) mode. Such measurements at the Ce L3 edge have the advantage of a high penetration depth, enabling in‐situ reaction studies in a time‐resolved manner and investigation of material production or material performance under specific conditions. But how much do we understand Ce L3 XANES? This article provides an overview of the information that can be extracted from experimental Ce L3 XAS/XANES/HERFD data. A collection of XANES data recorded on various cerium systems in HERFD mode is presented here together with detailed discussions on data analysis and the current status of spectral interpretation, including electronic structure calculations.
Co(II) Macrocyclic Complexes with Amide‐Glycinate Pendants as ParaCEST and Liposomal CEST Agents
Authors: Raymond Jaclyn J. , Chowdhury Md Saiful I. , Crawley Matthew R. , Morrow Janet R. 
Published: June 2024

AbstractMacrocyclic Co(II) complexes with appended amide‐glycinate groups were prepared to develop paramagnetic Co(II) chemical exchange saturation transfer (CEST) agents of reduced overall charge. Complexes with reduced charge and lowered osmolarity are important for their loading into liposomes and to provide complexes that are highly water soluble and well tolerated in animals. Co(L1) has two non‐coordinating benzyl groups and two amide‐glycinate pendants, whereas Co(L2) has two unsubstituted amide pendants and two amide‐glycinate pendants on cyclam (1,4,8,11‐tetraazacyclododecane). The 1H NMR spectrum of Co(L1) is consistent with a single cis‐pendant isomer with both amide protons in the trans‐configuration, as supported by an X‐ray crystal structure. Co(L2) has a mixture of different isomers in solution, including the trans‐1,4 and 1,8 pendant isomers. The Z‐spectrum of Co(L1) shows one highly‐shifted CEST peak, whereas Co(L2) exhibits six CEST peaks. Encapsulation of 40 mM Co(L1) in a liposome with osmotically‐induced shrinking at 300 mOsm/L produces a liposomal CEST agent with saturation frequency offset of 3 ppm. Addition of the amphiphilic 1,4,7‐triazacyclononane‐based complex Co(L5) to the liposomal bilayer at 18 mM with Co(L1) encapsulated in the liposome at 50 mM changes the sign and increases the magnitude of the saturation frequency offset to −7.5 ppm at 300 mOsm/L.
Chromium Complexes with Benzanellated N‐Heterocyclic Phosphenium Ligands–Synthesis, Reactivity and Application in Catalytic CO2 Reduction
Authors: Birchall Nicholas , Hennhöfer Fridolin , Nieger Martin , Gudat Dietrich 
Published: June 2024

AbstractA chromium complex carrying two benzanellated N‐heterocyclic phosphenium (bzNHP) ligands was prepared by a salt metathesis approach. Spectroscopic studies suggest that the anellation enhances the π‐acceptor ability of the NHP‐units, which is confirmed by the facile electrochemical reduction of the complex to a spectroscopically characterized radical anion. Co‐photolysis with H2 allowed extensive conversion into a σ‐H2‐complex, which shows a diverse reactivity towards donors and isomerizes under H−H bond fission and shift of a hydride to a P‐ligand. The product carrying phosphenium, phosphine and hydride ligands was also synthesized independently and reacts reversibly with CO and MeCN to yield bis‐phosphine complexes under concomitant Cr‐to‐P‐shift of a hydride. In contrast, CO2 was not only bound but reduced to give an isolable formato complex, which reacted with ammonia borane under partial recovery of the metal hydride and production of formate. Further elaboration of the reactions of the chromium complexes with CO2 and NH3BH3 allowed to demonstrate the feasibility of a Cr‐catalyzed transfer hydrogenation of CO2 to methanol. The various complexes described were characterized spectroscopically and in several cases by XRD studies. Further insights in reactivity patterns were provided through (spectro)electrochemical studies and DFT calculations.
Chemical Predictive Modelling and Natural Product‐based Divergent Synthesis – Design of Type B PPAPs with Nanomolar Activities against MRSA
Authors: Peslalz Philipp , Vorbach Andreas , Bleisch Anton , Liberini Elisa , Kraus Frank , Izzo Flavia , Brötz‐Oesterhelt Heike , Götz Friedrich , Plietker Bernd 
Published: June 2024

AbstractIn response to the pressing global challenge of antibiotic resistance, time efficient design and synthesis of novel antibiotics are of immense need. Polycyclic polyprenylated acylphloroglucinols (PPAP) were previously reported to effectively combat a range of gram‐positive bacteria. Although the exact mode of action is still not clear, we conceptualized a late‐stage divergent synthesis approach to expand our natural product‐based PPAP library by 30 additional entities to perform SAR studies against methicillin‐resistant Staphylococcus aureus (MRSA). Although at this point only data from cellular assays are available and understanding of molecular drug‐target interactions are lacking, the experimental data were used to generate 3D‐QSAR models via an artificial intelligence training and to identify a common pharmacophore model. The experimentally validated QSAR model enabled the estimation of anti‐MRSA activities of a virtual compound library consisting of more than 100,000 in‐silico generated B PPAPs, out of which the 20 most promising candidates were synthesized. These novel PPAPs revealed significantly improved cellular activities against MRSA with growth inhibition down to concentrations less than 1 μm.
Computational intelligence for empirical modelling and optimization of methylene blue adsorption phenomena utilizing an activated carbon‐supported [Co(NH3)6]Cl3 complex
Authors: Landolsi Kamel , Echouchene Fraj , Chouaieb Ines , Alamri Mona A. , Bajahzar Abdullah , Belmabrouk Hafedh 
Published: June 2024

AbstractThe study focuses on the efficiency of hexaamminecobalt (III) chloride (HACo, [Co(NH3)6]Cl3) immobilized on activated carbon for removing methylene blue (MB) from water solutions. The primary objective of this study was to assess the sorption performance of HACo immobilized on activated carbon in removing MB from water solutions. Additionally, predictive models were developed to optimize the MB removal percentage. Lastly, the study aimed to determine the optimal conditions for achieving maximum MB removal. Samples were characterized using scanning electron microscopy. Batch sorption experiments were conducted to analyze the impact of MB concentration, adsorbent mass, pH, temperature, and contact time. Predictive models were built using multiple linear regression and neural network techniques, specifically artificial neural networks (ANN) and hybrid ANN–particle swarm optimization (ANN‐PSO). The PSO‐ANN model with a single hidden layer of eight neurons trained using the Levenberg–Marquardt algorithm demonstrated high accuracy in predicting MB removal percentage, with mean absolute percentage error (MAPE) = 0.083788, root mean square error (RMSE) = 0.11441, and R2 = 0.99693. The MB adsorption process followed a mono‐layer with one energy model and a pseudo‐first‐order kinetic model. Optimization using the genetic algorithm revealed that the maximum MB removal percentage of 99.56% is achievable at an MB concentration of 9.36 mg/L, adsorbent mass of 15.72 mg, and temperature of 311.2 K. The study confirms the effectiveness of HACo immobilized on activated carbon for MB removal. The PSO‐ANN predictive model proved superior in accuracy compared to empirical models. Optimization results provide the optimal conditions for maximizing MB removal, offering valuable insights for practical applications.
Spontaneous coronary artery dissection (SCAD): A contemporary review
Authors: Offen Sophie , Yang Cathevine , Saw Jacqueline 
Published: June 2024

AbstractSpontaneous coronary artery dissection (SCAD) is an increasingly recognized cause of myocardial infarction that most frequently affects younger women, making it an important cause of morbidity and mortality within these demographics. The evolution of intracoronary imaging, improved diagnosis with coronary angiography, and ongoing research efforts and attention via social media, has led to increasing recognition of this previously underdiagnosed condition. In this review, we provide a summary of the current body of knowledge, as well as focused updates on the pathogenesis of SCAD, insights on genetic susceptibility, contemporary diagnostic tools, and immediate, short‐ and long‐term management.
The drivers of nonfinancial disclosure quality: A systematic literature review analysis
Authors: Latella Pasquale , Veltri Stefania 
Published: June 2024

AbstractThis study aims to analyze the current state of research on the determinants of nonfinancial disclosure quality (NFDQ). The systematic literature review analysis applied in the study is based on the systematic literature review principles, and on bibliographic analysis and manual content analysis instruments to highlight the key factors that have been studied for their impact on NFDQ. These factors include firm‐related drivers (i.e., ESG‐related drivers and other firm‐related drivers), the characteristics of nonfinancial reports, (assurance, type of report, and sustainability guidelines) and country level determinants (nonfinancial regulation). In addition to summarizing the current state of knowledge, this study identifies gaps in the existing literature and offers valuable suggestions for future research directions.
Prediction of clinical risk assessment and survival in chronic obstructive pulmonary disease with pulmonary hypertension
Authors: Zhou Dansha , Liu Chunli , Wang Lan , Li JiFeng , Zhao Yating , Deng Zheng , Hou Chi , Fu Yingyun , Jiang Qian , Lai Ning , Zhang Rui , Feng Weici , Gao Chuhui , Li Xiang , Jiang Mei , Fu Xin , Chen Jiyuan , Hong Wei , Xu Lei , He Wenjun , Liu Jinming , Yang YuanHua , Lu Wenju , Zhong Nanshan , Cao Yunshan , Wang Jian , Chen Yuqin 
Published: June 2024

AbstractBackgroundPatients with pulmonary hypertension (PH) and chronic obstructive pulmonary disease (COPD) have an increased risk of disease exacerbation and decreased survival. We aimed to develop and validate a non‐invasive nomogram for predicting COPD associated with severe PH and a prognostic nomogram for patients with COPD and concurrent PH (COPD–PH).MethodsThis study included 535 patients with COPD–PH from six hospitals. A multivariate logistic regression analysis was used to analyse the risk factors for severe PH in patients with COPD and a multivariate Cox regression was used for the prognostic factors of COPD–PH. Performance was assessed using calibration, the area under the receiver operating characteristic curve and decision analysis curves. Kaplan–Meier curves were used for a survival analysis. The nomograms were developed as online network software.ResultsTricuspid regurgitation velocity, right ventricular diameter, N‐terminal pro‐brain natriuretic peptide (NT‐proBNP), the red blood cell count, New York Heart Association functional class and sex were non‐invasive independent variables of severe PH in patients with COPD. These variables were used to construct a risk assessment nomogram with good discrimination. NT‐proBNP, mean pulmonary arterial pressure, partial pressure of arterial oxygen, the platelet count and albumin were independent prognostic factors for COPD–PH and were used to create a predictive nomogram of overall survival rates.ConclusionsThe proposed nomograms based on a large sample size of patients with COPD–PH could be used as non‐invasive clinical tools to enhance the risk assessment of severe PH in patients with COPD and for the prognosis of COPD–PH. Additionally, the online network has the potential to provide artificial intelligence‐assisted diagnosis and treatment.Highlights
A multicentre study with a large sample of chronic obstructive pulmonary disease (COPD) patients diagnosed with PH through right heart catheterisation.
A non‐invasive online clinical tool for assessing severe pulmonary hypertension (PH) in COPD.
The first risk assessment tool was established for Chinese patients with COPD–PH.