bluuebunny/crossref_metadata_2025_split huggingface dataset:
Successively Controlling Nanoscale Wrinkles of Ultrathin 2D Metal–Organic Frameworks Nanosheets
Authors: Tang Wen‐Qi , Cheng Yue , Zhu Jian‐Ping , Zhou Ye‐Qin , Xu Ming , Gu Zhi‐Yuan 
Published: July 2024

AbstractThe wrinkles are pervasive in ultrathin two‐dimensional (2D) materials, but the regulation of wrinkles is rarely explored systematically. Here, we employed a series of carboxylic acids (from formic acid to octanoic acid) to control the wrinkles of Zr‐BTB (BTB=1, 3, 5‐(4‐carboxylphenyl)‐benzene) metal–organic framework (MOF) nanosheet. The wrinkles at the micrometer scale were observed with transmission electron microscopy. Furthermore, high‐angle annular dark‐field (HAADF) images showed lattice distortion in many nanoscale regions, which was precisely matched to the nano‐wrinkles. With the changes of hydrophilicity/hydrophobicity, MOF‐MOF and MOF‐solvent interactions were possibly synergistically regulated and wrinkles with different sizes were obtained, which was supported by HAADF, molecular dynamics, and density functional theory calculation. Different wrinkle sizes resulted in different pore sizes between the Zr‐BTB nanosheet interlayers, providing highly‐oriented thin films and the successive optimization of kinetic diffusion pathways, proved by grazing‐incidence wide‐angle X‐ray scattering and nitrogen adsorption. The most suitable wrinkle pore from Zr‐BTB‐C4 exhibited highly efficient chromatographic separation of the substituted benzene isomers. Our work provides a rational route for the modulation of nanoscale wrinkles and their stacked pores of MOF nanosheets and improves the separation abilities of MOFs.
Enhancing the Supercapacitive Behaviour of Cobalt Layered Hydroxides by 3D Structuring and Halide Substitution
Authors: Seijas‐Da Silva Álvaro , Oestreicher Víctor , Huck‐Iriart Cristián , Mizrahi Martín , Hunt Diego , Ferrari Valeria , Abellán Gonzalo 
Published: July 2024

AbstractAmong the two‐dimensional (2D) materials, layered hydroxides (LHs) stand out due to their chemical versatility, allowing the modulation of physicochemical properties on demand. Specifically, LHs based on earth‐abundant elements represent promising phases as electrode materials for energy storage and conversion. However, these materials exhibit significant drawbacks, such as low conductivity and in‐plane packing that limits electrolyte diffusion. In this work, we explore the synthetic flexibility of α‐CoII hydroxides (Simonkolleite‐like structures) to overcome these limitations. We elucidate the growth mechanism of 3D flower‐like α‐CoII hydroxyhalides by using in situ SAXS experiments combined with thorough physicochemical, structural, and electrochemical characterization. Furthermore, we compared these findings with the most commonly employed Co‐based LHs: β‐Co(OH)₂ and CoAl layered double hydroxides. While α‐CoII LH phases inherently grow as 2D materials, the use of ethanol (EtOH) triggers the formation of 3D arrangements of these layers, which surpass their 2D analogues in capacitive behavior. Additionally, by taking advantage of their anion‐dependent bandgap, we demonstrate that substituting halides from chloride to iodide enhances capacitive behavior by more than 40 %. This finding confirms the role of halides in modulating the electronic properties of layered hydroxides, as supported by DFT+U calculations. Hence, this work provides fundamental insights into the 3D growth of α‐CoII LH and the critical influence of morphology and halide substitution on their electrochemical performance for energy storage applications.
Dual credits and the community college pathway toward STEM degrees
Authors: Hu Xiaodan , Menees Jay 
Published: July 2024

AbstractCommunity colleges are an important entry point and pathway for students to obtain a postsecondary degree in science, technology, engineering, and math (STEM) fields. To broaden STEM participation and increase STEM persistence, it is important to support community college students’ college‐level course completion and academic performance. This article explores whether earning dual credits in high school is related to community college students’ probability of completing any STEM/career and technical education (CTE) degree or persisting in a STEM program at a 4‐year institution. Using a nationally representative dataset, we find that earning dual credits, especially in the subject of math/science, is positively associated with community college students’ STEM/CTE success. We conclude the article with implications, recommending practitioners to highlight the benefits of dual credit on STEM success, streamline high school collaborations into STEM access and success strategy, and reimagine the role of CTE programs in STEM success for community college students.
Fe‐Catalyzed, Solvent‐Controlled, Switchable Routes for the Domino Construction of 2,4‐Disubstituted and 4‐Substituted Quinoline Scaffolds
Authors: Jagtap Prafull A. , Sawant Vaishnavi R. , Bhanage Bhalchandra M. 
Published: July 2024

AbstractIn this report, we unveil a highly efficient novel protocol for the domino synthesis of 2,4‐disubstituted and 4‐substituted quinoline scaffolds. The developed strategy involves earth‐abundant Fe‐catalyzed, solvent‐controlled, switchable routes for the selective construction of 2,4‐disubstituted and 4‐substituted quinoline frameworks, achieved by using either trifluoroethanol (TFE) or methanol (MeOH) as a solvent. By employing TFE as a solvent in Path A, the alkyne itself serves as a dual synthon through Fe‐catalyzed in situ C(sp)–C(sp) bond cleavage, enabling the synthesis of two important molecules: 2,4‐disubstituted and 4‐substituted quinolines. Later, upon switching the reaction medium from TFE to MeOH for Path‐B, only 4‐substituted quinolines were obtained extensively. In this Path‐B, Fe‐catalyzed oxidation of methanol was observed and here methanol functioned as both a solvent and an environmentally benign carbon source. Both of these strategies were utilized to prepare a broad range of mono‐ and di‐substituted quinoline derivatives. In the application section and for practical utility, the scale‐up studies, along with the photophysical properties of the synthesized quinoline moiety are also demonstrated.
Enhanced Degradation of Ciprofloxacin Hydrochloride Using Hybrid Advanced Oxidation Process of Hydrodynamic Cavitation and Ozonation
Authors: Bodawar Narendra , Shetty Rohit , Kamble Sanjay , Kulkarni Prashant 
Published: July 2024

AbstractThe degradation of ciprofloxacin hydrochloride (CFX), an extensively utilized antibiotic for bacterial infections, has been studied through the application of advanced oxidation processes (AOPs) including hydrodynamic cavitation (HC), ozonation (O3), the Fenton reaction, chemical oxidation, and hybrid AOPs such as HC/O3 and Fenton/O3. Among these, the hybrid combination of HC/O3 demonstrated the highest CFX degradation of 99.82 % within 180 min having an initial concentration of 1000 ppm. The optimization of the HC/O3 process was conducted by varying parameters including initial concentration, pH, ozone (O3) gas flowrate, and temperature. Throughout the degradation process, CFX underwent intermediate formation, which gradually degraded over time.
Effect of MnO2${\text{MnO}}_{2}$ doping on AC aging characteristics of varistor in arrester
Authors: Fu Zhengzheng , Zhang Zongxi , Fan Songhai , Cui Tao , Luo Donghui , Jiang Yiping , Meng Pengfei , Guo Jingke , Yin Yue 
Published: July 2024

AbstractAs the core component of lightning arrester, the performance of ZnO varistor directly affects the protection level of lightning arrester. Under the action of long‐term AC voltage, the varistors are prone to AC aging, which leads to the deterioration of its performance parameters and microstructure, resulting in the failure of the varistors. In this paper, the effects of doping on the voltammetry and double Schottky barrier characteristics of ZnO varistors under AC were studied by means of , scanning electron microscopy, and energy‐dispersive X‐ray spectroscopy characteristic testing. The AC accelerated aging test was carried out for 168 h under 135 and 0.85 ratio of peak voltage. The results showed that the introduction of inhibited the migration of interstitial zinc ions to grain boundaries and decreased the AC aging rate. The aging rate was lowest when 1.5 mol% was doped.
Highly Selective Boron‐Wittig Reaction: A Practical Method to Synthesize Trans‐Aryl Alkenes
Authors: Guan Qitao , Ding Fupan , Zhang Chun 
Published: July 2024

AbstractOlefins play an essential role in synthetic chemistry, serving not only as important synthons but also as key functional groups in numerous bio‐active molecules. Consequently, there has been considerable interest in the development of more powerful methods for olefins. While the Wittig reaction stands as a prominent choice for olefin synthesis due to its simplicity and the ready availability of raw materials, its limitation lies in the challenge of controlling cis‐trans selectivity, hampering its broader application. In this study, a novel Boron‐Wittig reaction has been developed utilizing gem‐bis(boryl)alkanes and aldehydes as starting materials. This method enables creating favourable intermediates, which possess less steric hindrance, and leading to trans‐olefins via intramolecular O−B bonds elimination. Notably, synthesis studies have validated its good efficacy in modifying bioactive molecules and synthesizing drug molecules with great trans‐selectivity. Furthermore, the reaction mechanism was elucidated based on intermediate trapping experiments, isotope labelling studies, and kinetic analyses.
Stacking Transformation‐Triggered Circularly Polarized Luminescence Reversion in γ‐Cyclodextrins‐Pyrene Co‐Assembly
Authors: Yang Shijie , Hu Fengqing , Xu Tianjing , Lin Fanjie , Han Jinsong , Li Fei 
Published: July 2024

AbstractConsiderable attention has been directed towards cyclodextrins (CDs) in the creation of co‐assembled CPL‐active materials, owing to their intrinsic chiral host cavities and synergistic host‐guest interactions. However, achieving reversed CPL emission regulation with single‐handedness CDs moiety poses a significant challenge. In this study, we have devised a series of γ‐CD‐based host‐guest complexes comprising dual pyrene imidazolium derivatives with multiple linkers, which exhibit reversed circularly polarized emission. We have uncovered that the transformation of excimer stacking within γ‐CD/pyrene complexes contributes to the inverted CPL emissions originating from a single‐handed chiral host. This research elucidates the phenomenon of (+)‐ and (−)‐circularly polarized excimer emission (CPEE) within γ‐CD, arising from right‐ and left‐handed stacking conformations, respectively.
Optimization design of supply chain network based on BP neural network performance evaluation and feedback mechanism
Authors: Wu Yao , Liu Weiwei 
Published: July 2024

SummaryThis paper proposes a supply chain network design method suitable for multi‐product and multi‐inventory models, and uses the improved BP neural network to evaluate and provide feedback on the collaborative performance of the supply chain, adjusting the supply chain network design scheme on time. In the context of the Internet of Things (IoT) in manufacturing, it has been found that supply chain operations are difficult to meet personalized customer needs with high precision and quality. Therefore, we adopted a dynamic library strategy, supply chain network optimization model, hybrid algorithm, and the improved BP neural network to solve the above problems. First, this paper designs a corresponding inventory strategy selection mechanism for the various ordering methods of retailers in the manufacturing IoT environment. Based on this, we have constructed a dual objective model for a sustainable supply chain network to minimize total cost and maximize customer satisfaction. Second, we have developed a hybrid improved Grey Wolf and Whale Algorithm (OLDGWOA) that can accurately solve the above model. The hybrid algorithm divides the population into two parts through opposition‐based learning, and then we use the improved grey wolf algorithm and whale algorithm to solve the two populations, and seek the optimal solution in the results, resulting in a hybrid algorithm. Finally, we constructed a supply chain performance evaluation model and feedback mechanism based on the improved BP neural network to adjust inventory strategies and network design at any time. We also validated the developed model and algorithm through numerical examples, and the results showed that: (1) the hybrid algorithm has certain advantages in search and solution speed, (2) the advantages of supply chain network design based on supply chain performance evaluation and feedback mechanisms, and (3) the trade‐off between ordering methods and inventory strategies, as well as the trade‐off between location and inventory strategies.
The Importance of Enhancing Donor–Donor and Acceptor–Acceptor Stacking Simultaneously for the Balance of Hole and Electron Mobility of Small Molecule Single‐Component Organic Solar Cells
Authors: Liu Kaikai , Zheng Shaohui 
Published: July 2024

AbstractSingle‐component organic solar cells (SCOSCs) have attracted extensive attention due to their simplified device manufacturing and excellent stability. However, the relationship between morphology and charge carrier mobility in the active layers of SCOSCs is not well understood. In this work, we present a comprehensive investigation on this issue by studying four dyads (fullerenes as acceptor units) used as materials of active layers in small‐molecule single‐component organic solar cells (SM‐SCOSCs), in which dyad 4 created the record of power conversion efficiency (PCE) of SM‐SCOSC until now. Utilizing a multiscale theoretical approach, the results identify that the acceptor–acceptor stacking is dominant in amorphous films, significantly improving electron mobility and lowering hole mobility. We also find the importance of achieving a balance between electron and hole mobility to further improve PCE of SM‐SCOSC because dyad 4 exhibits a more balanced electron/hole mobility than the other three molecules. These findings indicate the importance of tuning and enhancing donor–donor and acceptor–acceptor stacking simultaneously, offering insights for the design and optimization of future SM‐SCOSC.
Adjustment of Electronic (OMe and NO2) and Steric (CHPh2) Effects in Bis(imino)pyridinyliron Precatalysts for Producing High Molecular Weight Linear PE
Authors: Razzaq Ayesha , Ma Yanping , Mahmood Qaiser , Hu Zexu , Wang Yizhou , Zou Song , Zhou Aibo , Liang Tongling , Kong Shaoliang , Sun Wen‐Hua 
Published: July 2024

AbstractBased on variations in steric and electronic substituents in the N‐aryl unit, a set of five 2‐[1‐(arylimino)ethyl]‐6‐[1‐(2‐benzhydryl‐4‐nitro‐6‐methoxyphenylimino)ethyl]pyridyliron dichloride complexes (where aryl=2,6‐dimethylphenyl (Fe‐Me2), 2,6‐diethylphenyl (Fe‐Et2), 2,6‐diisopropyl (Fe‐iPr2), 2,4,6‐trimethylphenyl (Fe‐Me3), 2,6‐diethyl‐4‐methylphenyl (Fe‐Et2Me)) were synthesized and investigated for ethylene polymerization. Their structures and compositions were confirmed by FTIR, elemental analysis, and X‐ray diffraction analysis (Fe‐Et2 and Fe‐iPr2), revealing a distorted square pyramidal geometry around the iron center. When activated in situ with MAO or MMAO, these iron complexes acted as highly active precatalysts, achieving activity levels up to 29.0×106 gPE molFe−1 h−1 for a 5‐min reaction at 60 °C. A notable characteristic of these precatalysts is their high thermal stability, maintaining significant activity (2.0×106 gPE molFe−1 h−1) at temperatures up to 100 °C. Importantly, the incorporation of strong electron‐withdrawing groups in the ligand structure favored the production of polyethylene with high molecular weights (up to 407.5 kg mol−1) across various reaction conditions, surpassing those of most previously reported iron complexes. Moreover, less hindered iron precatalysts showed higher activity compared to more hindered ones. However, the trend reversed when comparing the molecular weight of obtained polyethylene: more sterically hindered precatalysts yielded higher molecular weight polymers. The molecular weight distributions ranged from monomodal to bimodal with broad dispersity. DSC thermograms and 1H/13C NMR spectra of the polyethylene confirmed its highly linear microstructure, evidenced by sharp endothermic peaks and pronounced singlets for the −(CH2)n− repeating units.
A Macrocycle with a Pair of Endo‐Isocyanides and its Affinity to Gold(I)
Authors: Kress Charlotte , Häussinger Daniel , Zwick Patrick , Prescimone Alessandro , Mayor Marcel 
Published: July 2024

AbstractA pair of isocyanides pointing towards each other are fixed in a macrocyclic scaffold. The arrangement not only increases their local concentration, it should also enable their linear arrangement in coordination compounds. The macrocyclic diisocyanide ligand 1 is synthesized and fully characterized. Its interaction with gold(I) ions is investigated. While IR‐ and 1H‐NMR‐based titration experiments unraveled a stoichiometry of 2 Au(I) ions per macrocycle 1, the corresponding association constants are studied by UV‐Vis titration experiments. However, the values are above the method's detection limits and only a lower boundary of an over‐all association constant is determined to be 3.0x107 m−1. The kinetics of the complex formation is further analyzed by NMR titration experiments and in spite of a change in the solvent, association constants about one order of magnitude larger than the lower limit determined by the UV‐Vis experiments are obtained.
A review of Leonureae – taxonomy, phylogeny and biogeography
Authors: Chen Yanyi , Wang Qiang 
Published: July 2024

AbstractThe tribe Leonureae (Lamioideae, Lamiaceae) is distributed in Eurasia and mainly in Central Asia, known as valuable herbal medicine. It comprises ca. 80 species in six genera: the Chaiturus, Lagochilus, Lagopsis, Leonurus, Loxocalyx, and Panzerina. Although the monophyly of Leonureae is well‐supported, the relationships within the tribe remain unclear, and the non‐monophyly of Lagopsis and Leonurus needs to be revised. Leonureae is particularly diverse in the arid regions of Central Asia, and it has been indicated that the diversification of Lagochilus and Panzerina was affected by the Qinghai‐Xizang Plateau's uplift and Quaternary climate oscillation. As the present understanding of Leonureae is deficient in taxonomy, phylogeny, and biogeography, this review aims to consolidate the current knowledge, hoping to promote the research progress.
Revolutionizing Energy: Tailored ZnOFe2O3/rGO for Glucose Oxidation in Fuel Cell Application
Authors: Razali Nur Afifah Mat , Yahya Norilhamiah , Ishak Nurul Atiqah Izzati Md , Karim Nabila A. , Kamarudin Siti Kartom 
Published: July 2024

ABSTRACTMetal‐based catalysts such as platinum and gold are frequently employed as electrocatalysts. However, they faced significant limitations, including high cost and susceptibility to poisoning and degradation, hindering their extensive utilization. To overcome these challenges, metal oxide offers promising alternatives for its fast electron transfer rate, large surface area, and high electrocatalytic activity in electrochemical oxidation materials. In this work, ZnO doped with Fe2O3 was scattered on reduced graphene oxide (rGO) to form a ZnOFe2O3/rGO hybrid by a hydrothermal method for glucose oxidation. The synthesized ZnOFe2O3/rGO composite was thoroughly characterized using field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), and X‐ray photoelectron spectra (XPS) analysis, and the electrochemical performance was evaluated using cyclic voltammetry. ZnO particles are highly uniform flowerlike particles interacting with uniform‐size spherical‐like particles of Fe2O3 in ZnO–Fe2O3 supported on the rGO. The result reveals that interaction between ZnO–Fe2O3 nanocomposites supported onto graphene sheets reduces agglomeration compared to parent nanoparticles. An increase in surface‐to‐volume ratio exhibits more surface‐active sites for electrooxidation and thus improved catalytic performance by a negatively shifted potential of −36.62 mV versus Ag/AgCl, representing appropriate electrocatalysts for use as the anode in glucose fuel cells. The maximum current density of 0.5201 mA cm−2 was achieved in the electrochemical glucose oxidation equipped with ZnOFe2O3/rGO, which was almost 20 and 3 times higher than ZnO and Fe2O3, respectively. The synergistic interaction of ZnO–Fe2O3 supported on rGO showed a vital role as an electrocatalytic mediator to facilitate the charge transfer for glucose oxidation.
New insights into trends of rainfall extremes in the Amazon basin through trend‐empirical orthogonal function (1981–2021)
Authors: Cerón Wilmar L. , Kayano Mary T. , Andreoli Rita V. , Canchala Teresita , Avila‐Diaz Alvaro , Ribeiro Igor O. , Rojas Juan D. , Escobar‐Carbonari Daniel , Tapasco Jeimar 
Published: July 2024

AbstractStudies related to monitoring changes in frequency, intensity and duration of precipitation extremes are key to creating efficient climate change measures and forest conservation policies. This study describes new insights into rainfall precipitation extremes over the Amazon basin (AB) during the last four decades (1981–2021) from the Climate Hazards Group InfraRed Precipitation with Station data (CHIRPSv2). Here we analysed the trends of daily extreme precipitation indices proposed by the Expert Team on Climate Change Detection and Indices (ETCCDI) at the seasonal scale, using the trend‐empirical orthogonal function (TEOF). Our results indicate that the frequency of precipitation extremes increased over Peruvian Amazonia and northeastern Brazilian Amazonia, and reduced in the centre of AB, mainly during the first seasons of the year: December–January–February (DJF) and March–April–May (MAM). The cooling trend over the eastern and central tropical Pacific and the warming trend over the tropical and western subtropical Pacific could associate with the increase in frequency of precipitation extremes in DJF. Furthermore, during June–July–August (JJA) and September–October–November (SON), rainfall intensity indices showed a decrease in Colombia and the Bolivian Amazon; in contrast, northern and southern Peru delivered an increased pattern. The trend pattern in the JJA and SON seasons could be associated with a warming trend over most of the North Atlantic and a cooling in the 40°–60° S band. Our results demonstrate that the precipitation extremes over the AB have spatially varying trends. These heterogeneous trends over the space might be take into account for robust adaptation policies over the countries that are parts of the AB, such as Bolivia, Brazil, Colombia, Ecuador, Guyana, Perú, Surinam and Venezuela.