bluuebunny/crossref_metadata_2025_split huggingface dataset:
Large Libraries of Structurally Diverse Macrocycles Suitable for Membrane Permeation
Authors: Nielsen Alexander L. , Bognar Zsolt , Mothukuri Ganesh K. , Zarda Anne , Schüttel Mischa , Merz Manuel L. , Ji Xinjian , Will Edward J. , Chinellato Monica , Bartling Christian R. O. , Strømgaard Kristian , Cendron Laura , Angelini Alessandro , Heinis Christian 
Published: April 2024

AbstractMacrocycles offer an attractive format for drug development due to their good binding properties and potential to cross cell membranes. To efficiently identify macrocyclic ligands for new targets, methods for the synthesis and screening of large combinatorial libraries of small cyclic peptides were developed, many of them using thiol groups for efficient peptide macrocyclization. However, a weakness of these libraries is that invariant thiol‐containing building blocks such as cysteine are used, resulting in a region that does not contribute to library diversity but increases molecule size. Herein, we synthesized a series of structurally diverse thiol‐containing elements and used them for the combinatorial synthesis of a 2,688‐member library of small, structurally diverse peptidic macrocycles with unprecedented skeletal complexity. We then used this library to discover potent thrombin and plasma kallikrein inhibitors, some also demonstrating favorable membrane permeability. X‐ray structure analysis of macrocycle‐target complexes showed that the size and shape of the newly developed thiol elements are key for binding. The strategy and library format presented in this work significantly enhance structural diversity by allowing combinatorial modifications to a previously invariant region of peptide macrocycles, which may be broadly applied in the development of membrane permeable therapeutics.
A H2O2 Self‐Charging Zinc Battery with Ultrafast Power Generation and Storage
Authors: Zhang Yan , Hu Yang , Wang Huimin , Tian Jinlei , Niu Zhiqiang 
Published: April 2024

AbstractSelf‐charging power systems are considered as promising alternatives for off‐grid energy devices to provide sustained electricity supply. However, the conventional self‐charging systems are severely restricted by the energy availability and time‐consuming charging process as well as insufficient capacity. Herein, we developed an ultrafast H2O2 self‐charging aqueous Zn/NaFeFe(CN)6 battery, which simultaneously integrates the H2O2 power generation and energy storage into a battery configuration. In such battery, the chemical energy conversion of H2O2 can generate electrical energy to self‐charge the battery to 1.7 V through the redox reaction between H2O2 and NaFeFe(CN)6 cathode. The thermodynamically and kinetically favorable redox reaction contributes to the ultrafast H2O2 self‐charging rate and the extremely short self‐charging time within 60 seconds. Moreover, the rapid H2O2 power generation can promptly compensate the energy consumption of battery to provide continuous electricity supply. Impressively, this self‐charging battery shows excellent scalability of device architecture and can be designed to a H2O2 single‐flow battery of 7.06 Ah to extend the long‐term energy supply. This work not only provides a route to design self‐charging batteries with fast charging rate and high capacity, but also pushes forward the development of self‐charging power systems for advanced large‐scale energy storage applications.
PolyBorylated Alkenes as Energy‐Transfer Reactive Groups: Access to Multi‐Borylated Cyclobutanes Combined with Hydrogen Atom Transfer Event
Authors: Hanania Nicole , Eghbarieh Nadim , Masarwa Ahmad 
Published: April 2024

AbstractWhile polyborylated alkenes are being recognized for their elevated status as highly valuable reagents in modern organic synthesis, allowing efficient access to a diverse array of transformations, including the formation of C−C and C‐heteroatom bonds, their potential as energy‐transfer reactive groups has remained unexplored. Yet, this potential holds the key to generating elusive polyborylated biradical species, which can be captured by olefins, thereby leading to the construction of new highly‐borylated scaffolds. Herein, we report a designed energy‐transfer strategy for photosensitized [2+2]‐cycloadditions of poly‐borylated alkenes with various olefins enabling the regioselective synthesis of diverse poly‐borylated cyclobutane motifs, including the 1,1‐di‐, 1,1,2‐tri‐, and 1,1,2,2‐tetra‐borylated cyclobutanes. In fact, these compounds belong to a family that presently lacks efficient synthetic pathways. Interestingly, when α‐methylstyrene was used, the reaction involves an interesting 1,5‐hydrogen atom transfer (HAT). Mechanistic deuterium‐labeling studies have provided insight into the outcome of 1,5‐hydrogen atom transfer process. In addition, the polyborylated cyclobutanes are then demonstrated to be useful in selective oxidation processes resulting in the formation of cyclobutanones and γ‐lactones.
Preparation and application of the water‐based acrylic self‐polishing resin: Good storage stability, good film‐forming matrix of marine antifouling coatings
Authors: Liu Yuhua , Liu Wenyan , Wei Shuqing , Yue Yuhao , Dong Lei , Yu Liangmin , He Guangling 
Published: April 2024

AbstractIn order to reduce the release of volatile organic compounds (VOCs), it is of great practical significance to develop water‐based self‐polishing antifouling coatings instead of traditional acrylic self‐polishing antifouling coatings. However, when preparing film forming matrix resin emulsions for water‐based antifouling coatings, the use of emulsifiers in large amounts causes film‐forming defects and poor adhesion. Herein, soap‐free emulsion polymerization is utilized to prepare resin emulsions by copolymerization of hydrophilic monomers, lipophilic monomers and polymerizable hydrophilic ionic monomers. The hydrophilic structure can give the water‐based polymer self‐emulsification function to maintain the stability of the emulsion and can promote the fusion between the latex particles by forming hydrogen bonds and coordination bonds, and its connection with the pigments and fillers in the coating can also promote the excellent film formation of the coating. The experimental results show that the water‐based self‐polishing antifouling resin emulsion has good storage stability and compatibility with the pigments and fillers. The coatings formulated using this emulsion as the film‐forming matrix firmly adhered to substrates and displayed satisfactory antifouling performance even after being exposed to a real sea environment for 18 months. This study presents a simple approach for the development of water‐based resin emulsion with good storage stability and good water‐based self‐polishing marine antifouling coatings.
From PID to ADRC and back: Expressing error‐based active disturbance rejection control schemes as standard industrial 1DOF and 2DOF controllers
Authors: Stankovic Momir , Ting He , Madonski Rafal 
Published: April 2024

AbstractIn this paper, we uncover a new connection between standard proportional‐integral (PI), proportional‐integral‐derivative (PID) controllers and active disturbance rejection control (ADRC), from which we establish formal conditions of equivalence between the two control schemes. Using the equivalence, we devise a step‐by‐step procedure of transitioning from PI/PID to error‐based ADRC. We also show how to go from one degree‐of‐freedom (1DOF) to two degree‐of‐freedom (2DOF) ADRC while retaining a standard 2DOF PI/PID structure. Both procedures facilitate expressing error‐based ADRC schemes as standard industrial 1DOF and 2DOF controllers. This allows the designed controller to have the desired characteristic of ADRC (i.e., strong robustness against internal and external uncertainties) while still being expressed in a form that is familiar to industrial practitioners, where PI/PID structures are still the workhorse of modern control systems. The paper's results ensure backward compatibility of future ADRC‐based solutions and foster the adoption of active disturbance rejection‐based methods in industrial practice as a viable alternative to standard controllers. To further support the findings, a set of tests is conducted in time and frequency domain.
Understanding the Effects of Bi Modification on the Properties of Ni‐Rich Cathodes
Authors: Meng Zifei , Hou Jiahui , Thanwisai Panya , Fu Jinzhao , Yao Zeyi , Zheng Yadong , Jin Wenting , Wang Zexin , Yang Zhenzhen , Ma Xiaotu , Wang Yan 
Published: April 2024

AbstractWith the skyrocketing market demands for energy storage, lithium ions batteries (LIB) with higher energy density are urgently needed. Cathodes play a critical role in determining the energy density of LIB, and the most popular one is Ni‐rich cathode due to its high capacity. However, due to the fast structural degradation, Ni‐rich cathode materials should be further modified to achieve higher stability. Herein, we introduce bismuth ions in LiNi0.83Co0.11Mn0.06O2 cathodes by adding Bi2O3 during sintering to optimize the specific capacity and cycle stability. By adding 0.1 % mol Bi, the Li+ diffusion and structural stability are effectively optimized, leading to improved electrochemical performances. The modified sample delivers much higher specific capacity (222.9 mAhg−1, 0.05 C) than unmodified sample (204 mAhg−1, 0.05 C). Meanwhile, the specific capacity of optimized sample after 100 cycles at 0.33 C is 27.75 mAhg−1 higher than that of unmodified sample. Therefore, this work demonstrates that Bi modification can be regarded as a possible solution to optimizing the electrochemical performance of Ni‐rich cathodes.
Effect of biochar structure on the selective adsorption of heavy components in bio‐oil
Authors: Zhu Haonan , Yan Shanshan , Wu Yansheng , Xu Hao , Chen Haoran , Zhang Hong , Guo Xin , Hu Xun , Zhang Shu , Gao Wenran 
Published: April 2024

AbstractIn this study, biochars with different structures were prepared through HNO3 oxidation and secondary pyrolysis to study the relationship between the structure of biochar and its selectivity for the adsorption of light and heavy aromatics in bio‐oil. The results showed that the adsorption rates of biochar with different structures ranged from 2.90 to 4.00 g bio‐oil per g biochar. The influence of pore structure was dominant, followed by the influence of O‐containing functional groups and the degree of graphitization. The higher the adsorption capacity of biochar for bio‐oil, the smaller the concentrations of the light aromatic model compounds in the absorbed bio‐oil (ABO). Among the five light aromatics, biochar has the best adsorption selectivity for dihydroxybiphenyl and the worst for eugenol and propyl phenol. This is attributed to the diphenyl ring structure of dihydroxybiphenyl, which makes it more susceptible to adsorption, and other light model compounds only have one benzene ring. In summary, biochar demonstrates better adsorption selectivity for heavy aromatics than light aromatics. The more developed the pore structure is, the more enriched O‐containing functional groups are, and the higher the graphitization degree of biochar is, the better the selective adsorption of aromatic compounds in bio‐oil.
The invisible support of community schools in a highly unequal education system: Exploring the experiences of minority pupils and teachers
Authors: Coudenys Blansefloer , Dekeyser Graziela , Agirdag Orhan , Clycq Noel 
Published: April 2024

AbstractThis study contributes to the research on ethnic educational inequality, by deepening the current understanding of education initiatives organised by the ethnic‐cultural minoritised communities most affected by these inequalities. A univariate analysis was performed on data from an original survey conducted in Flanders, in which 816 teachers and 3037 pupils from 60 primary schools were asked about, among other things, their experience with and their perceptions of these educational initiatives. The results of this analysis show that these community‐based education initiatives are widely attended by ethnic minority youth, but also that teachers in mainstream schools are rarely informed or even aware of the existence of these initiatives, or the important role they play in their pupils' lives. The broader social and scientific implications are discussed in this paper, as little to no similar larger‐scale research exists that maps the relationship between these community‐based education initiatives and mainstream educational institutions.
Online preconcentration and determination of five alkaloids in Yangxinshi tablet by large‐volume sample stacking and micelle to solvent stacking in cyclodextrin‐modified electrokinetic chromatography
Authors: Zhou Rui , Liu Wenping , Li Jin , Du Kunze , He Jun , Yao Yaqi , Chang Yanxu 
Published: April 2024

AbstractThe two‐step preconcentration technique consisting of large‐volume sample stacking (LVSS) and micelle to solvent stacking (MSS) in cyclodextrin‐modified electrokinetic chromatography (CDEKC) was developed for the analysis of five cationic alkaloids in complex Chinese herbal prescriptions. Relevant parameters affecting separation and stacking performance were optimized separately. Under the optimal LVSS–MSS–CDEKC conditions, less analysis time and organic solvent were required, and the enhancement factors of analytes ranged from 12 to 15 compared with the normal CDEKC separation mode. Further, all validation results demonstrated good applicability and multiple alkaloids (epiberberine, dehydrocorydaline, jatrorrhizine, coptisine and berberine) in Yangxinshi tablet (YXST) have been simultaneously determined. This approach presents powerful potential for the determination of multiple components in complex preparations of Chinese medicine.
EL Greco Platform: A novel Python programming learning platform that uses a real robot
Authors: Rousouliotis Minas , Vasileiou Marios , Manos Nikolaos , Kavallieratou Ergina 
Published: April 2024

AbstractThis paper introduces the El Greco Platform, a Python programming platform for distance learning that employs an educational robot. This website allows prospective learners to remotely control Greco, a social humanoid robot designed to be cost‐effective, simple to construct, and appropriate for use in education. El Greco is capable of performing multiple tasks, including combined movements. These Robot capabilities can be programmed using either Python code or the Blockly library, which adds an editor to an application that visualizes coding concepts as interlocking blocks. Programming a robot appears to be a significantly more effective and creative method for students to learn a programming language. This educational tool was designed primarily for use by students and allows anyone to learn Python while controlling a robot for free. El Greco Platform features gamification elements that increase the enjoyment and engagement of the learning experience while reinforcing the concepts taught. The survey results on students aged 13–18 revealed that the El Greco Platform captivated the study participants and positively affected their attitudes toward programming and robotics. In addition, it significantly impacted their comprehension of programming and motivated them to seek additional opportunities to expand their knowledge of robotics and programming.
Industrial Distillation Fractions of Garlic Essential Oil, Design, Synthesis, and Antifungal Activity Evaluation of Aliphatic Substituted Trisulfide Derivatives
Authors: Chen Yao , Wang Hui , Wang Haiyang , Gao Jie , Huang Yamin , Zhang Yu , Lv Xianhai 
Published: April 2024

AbstractGarlic oil has a wide range of biological activities, and its broad‐spectrum activity against phytopathogenic fungi still has the potential to be explored. In this study, enzymatic treatment of garlic resulted in an increase of approximately 50 % in the yield of essential oil, a feasible GC‐MS analytical program for garlic oil was provided. Vacuum fractionation of the volatile oil and determination of its inhibitory activity against 10 fungi demonstrated that garlic oil has good antifungal activity. The antifungal activity levels were ranked as diallyl trisulfide (S‐3)>diallyl disulfide (S‐2)>diallyl monosulfide (S‐1), with an EC50 value of S‐3 against Botrytis cinerea reached 8.16 mg/L. Following the structural modification of compound S‐3, a series of derivatives, including compounds S‐4~7, were synthesized and screened for their antifungal activity. The findings unequivocally demonstrated that the compound dimethyl trisulfide (S‐4) exhibited exceptional antifungal activity. The EC50 of S‐4 against Sclerotinia sclerotiorum reached 6.83 mg/L. SEM, In vivo experiments, and changes in mycelial nucleic acids, soluble proteins and soluble sugar leakage further confirmed its antifungal activity. The study indicated that the trisulfide bond structure was the key to good antifungal activity, which can be developed into a new type of green plant‐derived fungicide for plant protection.
Functions of HP1 in preventing chromosomal instability
Authors: Ding Zexian , Peng Lei , Zeng Jinghua , Yuan Kejia , Tang Yan , Yi Qi 
Published: April 2024

AbstractChromosomal instability (CIN), caused by errors in the segregation of chromosomes during mitosis, is a hallmark of many types of cancer. The fidelity of chromosome segregation is governed by a sophisticated cellular signaling network, one crucial orchestrator of which is Heterochromatin protein 1 (HP1). HP1 dynamically localizes to distinct sites at various stages of mitosis, where it regulates key mitotic events ranging from chromosome–microtubule attachment to sister chromatid cohesion to cytokinesis. Our evolving comprehension of HP1's multifaceted role has positioned it as a central protein in the orchestration of mitotic processes.
Effects of pea flour substitution and sodium metabisulfite on physical and sensory properties of pancake formulations
Authors: Paladugula Moorti P. , Smith Brennan M. , Ardoin Ryan P. , Morris Craig F. , Kiszonas Alecia M. 
Published: April 2024

AbstractBackground and ObjectivesPulse flours are gaining popularity in baked goods, but their use is limited due to strong flavors. This study analyzed the addition of pea flour to pancakes, with and without sodium metabisulfite (SMB), to assess their impact on pancake quality and reduce off‐flavors.FindingsBecause pancake formulations were standardized based on batter viscosity, only at 20% pea flour incorporation did changes to pancake physical quality occur. Adding pea flour to pancakes impacted sensory aspects such as cooked pea flavor, nutty flavor, and pea odor. In combination with SMB, pea flour can be added up to 5% without imparting significant cooked pea flavor to pancakes. SMB also reduced pea odor in pancakes with 1%–5% pea flour.ConclusionsPea flour can be added to pancakes without significantly affecting physical quality, as long as the batter viscosity is optimized. SMB can have a positive effect on limiting off‐flavors in pancakes containing pea flour. This research provides valuable insights into the effects of substituting pea flour in soft wheat batter‐based bake systems.Significance and NoveltyPancakes with up to 20% pea flour had similar physical characteristics to wheat pancakes. Pea flavors were detectible at 5% inclusion, and SMB reduced off‐flavor perception at low pea flour inclusion rates.
Impact of Ceria Support Morphology on Au Single‐Atom Catalysts for Benzyl Alcohol Selective Oxidation
Authors: Zhou Xinyue , Mavridis Aristarchos , Isaacs Mark A. , Drivas Charalampos , D'Agostino Carmine , Parlett Christopher M. A. 
Published: April 2024

AbstractAlcohol oxidations are a key industrial chemical transformation, with aldehydes and ketones finding use in an array of applications. Nobel metals are known for their activity towards this chemoselective transformation, however, sustainable catalyst synthesis requires optimal utilisation of these scarce elements. Here, we report Au catalytic systems based on the deposition of isolated Au sites on different morphologies of ceria in which different surface facets of the support are exposed. Through tailoring the support morphology and from extensive catalyst characterisation, it is shown that the exposed facet is critical for controlling the formation (or not) of isolated Au sites. Both the 110 and 111 facets are capable of this feat, yielding single‐atom sites for rod, octahedron, and polyhedron morphologies. In contrast, the 100 facet is not, resulting in Au nanoparticles on cubic ceria. This dictation over Au species is critical to benzyl alcohol oxidation capacity at mild conditions and in the absence of a soluble base, with only single‐atom catalyst (SAC) systems demonstrating activity. Furthermore, the exposed surface facet also governs the degree of surface oxygen vacancies, which is critical to catalyst activity due to their control over substrate adsorption strength, as revealed through T1/T2 NMR relaxation measurements.
Regulating Electrode/Electrolyte Interface with Additives towards Dendrite‐Free Zinc‐Ion Batteries
Authors: Cao Jin , Sun Yongxin , Zhang Dongdong , Luo Ding , Wu Haiyang , Wang Xu , Yang Chengwu , Zhang Lulu , Yang Xuelin , Qin Jiaqian 
Published: April 2024

AbstractAqueous zinc‐ion batteries (AZIBs) are highly promising for grid‐scale energy storage due to their high‐safety and low‐cost characteristics. Nevertheless, the progress in AZIBs has been impeded due to challenges encompassing corrosion, hydrogen evolution reaction, and the formation of dendrites on Zn anodes. These issues arise from the decomposition of active water molecules in the Zn2+ solvation structure in the electrolyte. Various strategies have been proposed to regulate the electrode/electrolyte interface to effectively address these problems. In spite of remarkable headway, an inadequacy of comprehensive studies addressing the mechanisms and evolutionary dynamics of the electrode/electrolyte interface is evident within scientific literature. This overview aims to provide a comprehensive overview of the strategies for regulating the electrode/electrolyte interface, focusing on dendrite‐free and side reactions‐suppressed AZIBs. These strategies include the introduction of metal ion additives, inorganic additives, surfactant additives, polymer additives and organic additives. Furthermore, a detailed examination is made on the effects and underlying mechanisms associated with modifying the electrolyte at the interface between the electrode and electrolyte. Moreover, an appraisal is provided on the performance metrics of diverse strategies and prospective research directions are recommended as well.
Hydroxylamine‐Mediated C(sp2)−H Trifluoromethylation of Terminal Alkenes
Authors: Zhao Xiao , Zhong Bing , Dong Likun , Zhang Yu‐Shan , Luo Hai‐Tian , Yang Jin‐Dong , Cheng Jin‐Pei 
Published: April 2024

AbstractIntroduction of the trifluoromethyl (CF3) group into organic compounds has garnered substantial interest because of its significant role in pharmaceuticals and agrochemicals. Here, we report a hydroxylamine‐mediated radical process for C(sp2)−H trifluoromethylation of terminal alkenes. The reaction shows good reactivity, impressive E/Z selectivity (up to >20 : 1), and broad functional group compatibility. Expansion of this approach to perfluoroalkylation and late‐stage trifluoromethylation of bioactive molecules demonstrates its promising application potential. Mechanistic studies suggest that the reaction follows a radical addition and subsequent elimination pathway.