bluuebunny/crossref_metadata_2025_split huggingface dataset:
Genetic variability and path coefficient analysis among bread wheat (Triticum aestivum L.) genotypes for yield and yield‐related traits in bale highlands, southeastern Ethiopia
Authors: Abdurezake Mohammedamin , Bekeko Zelalem , Mohammed Abdi 
Published: May 2024

AbstractWheat (Triticum aestivum L.) is one of the most important strategic crops to overcome food security problems in the world including Ethiopia. This can be achieved through genetic improvement of the crop and its production practices. In this connection, information on the mutual association of traits is important for effective selection in wheat‐breeding programs. In 2021/2022 production year, a field experiment was undertaken to estimate the extent of genetic variability, path analysis, and association of yield and yield‐related characteristics for the selection of desirable wheat genotypes. A total of 64 bread wheat genotypes, including yellow rust‐resistant Boru (resistant), Hachalu (moderately resistant), and Madda‐Walabu (susceptible) as control, were used for the field experiment at Sinana and Agarfa Agricultural Research Centers. The experiment was laid out in a simple alpha lattice design. The mean analysis of variances showed highly significant differences (p < 0.001) for all traits among the tested genotypes. The value of the phenotypic coefficient of variance was higher than the genotypic coefficient of variance for all studied traits, indicating the presences of higher genetic variability among the tested genotypes. Grain yield had a significant positive correlation with days to maturity, grain‐filling period, plant height, kernels spike−1, thousand seed weight, and biological yield at both genotypic and phenotypic levels including spike length at phenotypic levels at both locations and with plant height, thousand seed weight, and biological yield at both locations at genotypic and phenotypic levels. Similarly, days to maturity and grain‐filling period also showed a significant positive phenotypic correlation with grain yield. The analyzed path coefficients at both genotypic and phenotypic levels also indicated how grain yield is influenced directly and indirectly by other yield and yield‐related traits. The result also showed the existence of good heritability values along with high genetic advance, higher phenotypic coefficient of variation and genotypic coefficient of variation for grain yield, biological yield, and grain‐filling period. This implies the true relationship among these traits and grain yield; therefore, due attention should be paid to such traits during selection for further improvement. Hence, the present study indicated the importance of the direct and indirect effects of the studied traits on yield and yield components which makes selection desirable for improving the grain yield of wheat and its genetic resistance against yellow rust in the study area.
Optimization methods for plastics management supply chain design
Authors: Wang Shuheng , Maravelias Christos T. 
Published: May 2024

AbstractThis article introduces three mixed integer programming (MIP) models to address a network design problem for mixed plastic waste (MPW) supply chains. By tracking waste compositions throughout the supply chain, the models optimize the technologies needed to process MPW. The three models adopt different approaches to preserve composition information in the supply chain. We also remark on how to improve solution times with additional constraints, and how the models can be easily modified to handle larger‐scale problems. The proposed models provide an approach for examining emerging MPW recycling technologies that may be more sensitive to input composition, as well as determining the extent to which advanced sorting is useful.
Transition‐Metal‐Free Annulation of Sulfonyl‐Derived 1,3‐Enynes: Simple and Efficient Construction of 2,4‐Disubstituted Thiophenes and Vinyl Sulfone‐Tethered 1,2,3‐NH‐Triazoles
Authors: Sharadha Nunavath , Haritha Kumari Arram , Jannapu Reddy Raju 
Published: May 2024

AbstractThiophenes and 1,2,3‐NH‐triazoles are important frameworks in pharmaceuticals and advanced functional materials. Vinyl sulfones are also blueprint motifs in medicinal chemistry, but hybrid analogues of 1,2,3‐NH‐triazole‐derived from vinyl sulfones still need to be explored. In this report, we present an efficient and transition‐metal‐free [4+1]‐thioannulation of sulfonyl‐tethered 1,3‐enynes with Na2S in the presence of Cs2CO3 to generate 2,4‐disubstituted thiophenes in good to high yields. We also established a formal [3+2]‐cycloaddition of 1,3‐sulfonylenynes with NaN3 under metal‐ and base‐free conditions to synthesize vinyl sulfone‐containing 1,2,3‐NH‐triazole derivatives in moderate to high yields. The scope of these protocols was successfully showcased with various types of 1,3‐enynes bearing sensitive functional groups and complex structural scaffolds. The desired products were readily obtained with good functional group tolerance and compatibility. Based on the existing results and control experiments, plausible mechanistic pathways are also presented.
Struktur und chemische Reaktivität von Yttrium‐stabilisierten ZrO2‐Oberflächen: Zur Bedeutung für die Wassergas‐Shift‐Reaktion
Authors: Chen Shuang , Pleßow Philipp N. , Yu Zairan , Sauter Eric , Caulfield Lachlan , Nefedov Alexei , Studt Felix , Wang Yuemin , Wöll Christof 
Published: May 2024

AbstractDie Oberflächenstruktur und die chemischen Eigenschaften von Yttrium‐stabilisiertem Zirkoniumdioxid (YSZ) waren in den letzten drei Jahrzehnten Gegenstand intensiver Diskussionen. Ein umfassendes Verständnis der chemischen Prozesse, die bei YSZ‐Pulvern ablaufen, ist jedoch aufgrund der fehlenden Erhebung von zuverlässigen Referenzdaten für gut kontrollierte Modellsysteme mit erheblichen Herausforderungen verbunden. Wir stellen hier die Ergebnisse aus der polarisationsaufgelösten Infrarot‐Reflexions‐Absorptions‐Spektroskopie (IRRAS) vor, die für unterschiedlich orientierte, Yttrium‐dotierte ZrO2‐Einkristalloberflächen nach der Adsorption von CO und D2O erhalten wurden. Die IRRAS‐Daten zeigen, dass die polare YSZ(100)‐Oberfläche eine Rekonstruktion erfährt, die durch eine ungewöhnliche rotverschobene CO‐Bande bei 2132 cm−1 gekennzeichnet ist. Berechnungen gemäß der Dichtefunktionaltheorie ermöglichten es, diese unerwartete Beobachtung mit unterkoordinierten Zr4+‐Kationen in der Nähe der durch die Dotierung induzierten O‐Fehlstellen in Verbindung zu bringen. Diese Rekonstruktion führt zu einer stark erhöhten chemischen Reaktivität und zu einer spontanen Dissoziation von Wasser an YSZ(100). Letzteres, eine wichtige Voraussetzung für die Katalyse der Wassergas‐Shift (WGS)‐Reaktion fehlt für YSZ(111), wo lediglich eine assoziative Adsorption beobachtet wurde. Zusammen mit einem neuartigen Analyseschema ermöglichten diese Referenzdaten eine operando‐Charakterisierung von YSZ‐Pulvern mithilfe der DRIFTS (Diffuse‐Reflexions‐Infrarot‐Fourier‐Transform‐Spektroskopie). Diese Erkenntnisse erleichtern das rationale Design und die Abstimmung von YSZ‐basierten Pulvermaterialien für katalytische Anwendungen, insbesondere für die CO‐Oxidation und die WGS‐Reaktion.
Dynamic Covalent Bonds Regulate Zinc Plating/Stripping Behaviors for High‐Performance Zinc Ion Batteries
Authors: Guo Yafei , Luo Chong , Yang Mingfang , Wang Huirong , Ma Wenwen , Hu Kaikai , Li Li , Wu Feng , Chen Renjie 
Published: May 2024

AbstractArtificial interfaces provide a comprehensive approach to controlling zinc dendrite and surface corrosion in zinc‐based aqueous batteries (ZABs). However, due to consistent volume changes during zinc plating/stripping, traditional interfacial layers cannot consistently adapt to the dendrite surface, resulting in uncontrolled dendrite growth and hydrogen evolution. Herein, dynamic covalent bonds exhibit the Janus effect towards zinc deposition at different current densities, presenting a holistic strategy for stabilizing zinc anode. The PBSC intelligent artificial interface consisting of dynamic B−O covalent bonds is developed on zinc anode to mitigate hydrogen evolution and restrict dendrite expansion. Owing to the reversible dynamic bonds, PBSC exhibits shape self‐adaptive characteristics at low current rates, which rearranges the network to accommodate volume changes during zinc plating/stripping, resisting hydrogen evolution. Moreover, the rapid association of B−O dynamic bonds enhances mechanical strength at dendrite tips, presenting a shear‐thickening effect and suppressing further dendrite growth at high current rates. Therefore, the assembled symmetrical battery with PBSC maintains a stable cycle of 4500 hours without significant performance degradation and the PBSC@Zn||V2O5 pouch cell demonstrates a specific capacity exceeding 170 mAh g−1. Overall, the intelligent interface with dynamic covalent bonds provides innovative approaches for zinc anode interfacial engineering and enhances cycling performance.
Orchestrated Octuple C−H Activation: A Bottom‐Up Topology Engineering Approach toward Stimuli‐Responsive Double‐Heptagon‐Embedded Wavy Polycyclic Heteroaromatics
Authors: Rana Samim Sohel , Choudhury Joyanta 
Published: May 2024

AbstractCuriosity‐driven innovations on the design and synthesis of nonplanar polycyclic aromatic/heteroaromatic compounds with new molecular topologies unfold exciting opportunities for harnessing their intriguing supramolecular properties and thereby the development of novel functional organic materials. This work presents such an innovative synthetic concept of a bottom‐up molecular topology engineering through a unique orchestrated octuple C−H activation reaction, toward the rapid synthesis of a novel class of double heptagon‐incorporated nitrogen‐doped laterally‐fused polycyclic compounds with rarely reported wavy structural configuration. The profound impact of the molecular wavy structures of these compounds on their properties is manifested by weak and tunable solid‐state intermolecular interactions controlling the electronic properties of the materials, leading to reversibly switchable fluorochromism in the solid state and thin films with mechanical force and solvent vapors as external stimuli, thereby indicating their potential applicability in rewritable fluorescent optical recording media, security papers, mechanosensors, volatile organic compound (VOC) sensors etc.
Amino‐modified banana nanocellulose aerogels with quick pH‐responsive switchable wettability for oil–water separation
Authors: Zhang Meiling , Hu Wenhui , Guo Ningting , Wu Peiming , Su Huiying , Shao Jianhao , Li Min , Ye Jianqing , Zheng Guangwei , Wang Zhangang , Yang Yaolin , Yousif Muhammad , Zhuang Xupin 
Published: May 2024

AbstractWith the rapid development of the maritime industry, oily wastewater discharges and oil spills cause acute environmental challenges. Currently, cellulosic materials with switchable wettability have received increasing interest for oil–water separation. Moreover, work efficiency needs to be improved with a shorter response time. To realize these, dimethylaminoethyl methacrylate (DMAEMA) and methyltrimethoxysilane (MTMS) synthesized pH‐responsive copolymer (DMAEMA‐co‐MTMS) which grafted banana nanocellulose fiber made from wasted pseudostem to achieve the pH‐responsive aerogel (BCNA‐DcoM). BCNA‐DcoM exhibited hydrophilic/submerged lipophobicity under acidic conditions and hydrophobic/lipophilic under alkaline conditions. A response time of 3 s and a contact angle of 135° were shown when the mass ratio of banana nanocellulose suspension, MTMS, and DMAEMA‐co‐MTMS was 5:3:9. Moreover, BCNA‐DcoM possessed favorable mechanical friction properties, salt resistance (25% NaCl), compression resilience (50 cycles of compression at 60% strain), switchable wettability (>30 cycles), and highly efficient separation performance (>96%). The adsorption capacity of BCNA‐DcoM for oil is 80–184 times the initial weight of the aerogel based on the different oil densities. For practical applications, BCNA‐DcoM could continuously separate oil–water mixtures with the constant‐flow pump. The present work provides more possibilities for rapidly treating industrial oily wastewater with low‐cost and ecological banana pseudostem materials.
Do schools that employ an inspector get better inspection grades?
Authors: Bokhove Christian , Jerrim John , Sims Sam 
Published: May 2024

AbstractIn England, a substantial proportion of school inspections are conducted by current school leaders. This may lead to concerns that this gives their school (about 2% of schools) an advantage in the inspection process when it is their turn to be inspected. Yet scant evidence exists on this issue. This paper thus presents the first evidence on this matter, using data obtained via a freedom of information request and linking this with other publicly available information about England's schools. We find that schools where a member of staff also works for Ofsted receive better inspection outcomes than schools without an inspector on their payroll. Our findings nevertheless suggest that other schools may benefit from having access to the training material and professional development opportunities Ofsted provides to its inspectors.
A comparative study of two thienopyrimidine Schiff base probes for sequential monitoring of Ga3+ and Pd2+
Authors: Shi Manman , Li Boli , Kang Mingyi , Liu Peng , Yang Xiaofeng , Pei Meishan , Zhang Guangyou 
Published: May 2024

AbstractTwo Schiff base probes (S1 and S2) were prepared and synthesized by incorporating thienopyrimidine into salicylaldehyde or 3‐ethoxysalicylaldehyde individually, with the aim of detecting Ga3+ and Pd2+ sequentially. Upon chelation with Ga3+, S1 and S2 exhibited fluorescence enhancement in DMSO/H2O buffer. Both S1–Ga3+ and S2–Ga3+ were quenched by Pd2+. The limit of detection for S1 in response to Ga3+ and Pd2+ was 2.86 × 10−7 and 4.4 × 10−9 M, respectively. For S2, the limit of detection for Ga3+ and Pd2+ was 4.15 × 10−8 and 3.0 × 10−9 M, respectively. Furthermore, the complexation ratios of both S1 and S2 with Ga3+ and Pd2+ were determined to be 1:2 through Job's plots, ESI‐MS analysis, and theoretical calculations. Two molecular logic gates were constructed, leveraging the response behaviors of S1 and S2. Moreover, the potential utility of S1 and S2 for monitoring Ga3+ and Pd2+ in domestic water was verified.
Distribution of cereal phytochemicals and micronutrients in whole grains: A review of nutraceutical, industrial, and agricultural implications
Authors: Nguyen Si Nhat , Drawbridge Pamela , Beta Trust 
Published: May 2024

AbstractBackground and ObjectivesThere is mounting evidence that whole cereal grains are a source of many micronutrients and phytochemicals that confer several health benefits. This work aimed to investigate the distribution patterns and related implications of selected bioactive compounds from various cereal grains and discuss the techniques used to study their distribution.FindingsHand dissection and imaging techniques are the methods used to locate bioactive compounds in whole grains with high accuracy. Pearling and milling are methods of industrial importance. Phenolic compounds are concentrated in cereal bran, whereas the germ is rich in carotenoids and tocols (particularly tocopherols). Knowing the distribution pattern of compounds allows a better understanding of their bioaccessibility and associated bioactivity, as well as developing means to recover them and enhance their occurrence in the aleurone layer.ConclusionsGradient patterns exist in the distribution of phytochemicals and micronutrients derived from cereal grains. This knowledge can be translated into a number of purposeful and practical applications.Significance and NoveltyThis study employed a comparative approach to examine the repartition of various compounds in whole grains of assorted cereals with an emphasis on minor crops. The implications are relatable and applicable in diverse sectors to ultimately improve the well‐being of cereal consumers.
Coin‐Shaped Carbon Prepared with Cerbera manghas Fibers via Multistage Carbonization and Activation for High‐Performance Symmetrical Supercapacitors
Authors: Farma Rakhmawati , Yunita Aria , Apriyani Irma , Awitdrus Awitdrus , Deraman Mohamad , Omar Fatin Salha , Shamsudin Siti Aisyah , Othman Mohd Amir Radhi 
Published: May 2024

AbstractSupercapacitor energy storage devices and activated carbon (AC) manufacturing materials for producing high‐performance supercapacitors have received extensive attention from researchers. Biomass‐based AC has been extensively studied due to its environmental friendliness, abundant availability, porous structure, and high specific surface area. This work focuses on developing biomass‐based carbon electrodes derived from Cerbera manghas fiber (CMF) with variations in carbonization temperature to obtain optimum supercapacitor cell performance. The prepared CMF AC was characterized using energy dispersive X‐ray, Fourier transform infrared, X‐ray diffraction, scanning electron microscope, and nitrogen isothermal adsorption–desorption. CMF AC with the optimum carbonization temperature (CMF‐600) produced a fibrous structure with a lot of mesoporous so that the specific surface area and specific capacitance were high, namely, 721.495 m2 g−1 and 221 F g−1 at scan rate 1 mV s−1, respectively. The results of this study indicate that selecting the optimum temperature can enhance the performance of supercapacitor cells and make AC based on CMF biomass potential for cheap and efficient energy storage applications.
Room‐Temperature Cascade Electrophilic Addition/Cyclization/Oxidation Reactions: Divergent Selective Synthesis of Brominated 2H‐Chromenes, 2H‐Chromen‐2‐ols and 2H‐Chromen‐2‐ones
Authors: Shen Guodong , Li Zhanjun , Zhao Lingyu , Zhang Ye , Zhang Yalin , Li Zhen , Huang Xianqiang , Lv Xin 
Published: May 2024

AbstractThe room temperature metal‐free cascade electrophilic addition/cyclization/oxidation reactions of (3‐phenoxyprop‐1‐yn‐1‐yl)benzenes to divergently synthesize various brominated benzopyran derivatives (3‐bromo‐2H‐chromenes, 3‐bromo‐2H‐chromen‐2‐ols and 3‐bromo coumarins) by tuning the amount of Br2 and H2O have been developed. The method exhibited high selectivity, mild reaction conditions, broad substrate scope, high efficiency, and the applicability for derivatization of the brominated products. The importance of the strategies provides a great advantage for selective synthesis of brominated benzopyran derivatives.
Synthesis, Photophysical and Electronic Properties of a D‐π‐A Julolidine‐Like Pyrenyl‐o‐Carborane
Authors: Krebs Johannes , Brändler Lisa , Krummenacher Ivo , Friedrich Alexandra , Braunschweig Holger , Finze Maik , Curchod Basile F. E. , Marder Todd B. 
Published: May 2024

AbstractWe synthesized 2‐(1‐1,2‐dicarbadodecaboranyl(12))‐6,6,12,12‐tetramethyl‐7,8,11,12‐tetrahydro‐6H,10H‐phenaleno[1,9‐fg]pyrido[3,2,1‐ij]quinoline (4), a julolidine‐like pyrenyl‐o‐carborane, with pyrene substituted at the 2,7‐positions on the HOMO/LUMO nodal plane. Using solid state molecular structures, photophysical data, cyclic voltammetry, DFT and LR‐TDDFT calculations, we compare o‐carborane and B(Mes)2 (Mes=2,4,6‐Me3C6H2) as acceptor groups. Whereas the π‐acceptor strength of B(Mes)2 is sufficient to drop the pyrene LUMO+1 below the LUMO, the carborane does not do this. We confirm the π‐donor strength of the julolidine‐like moiety, however, which raises the pyrene HOMO‐1 above the HOMO. In contrast to the analogous pyrene‐2‐yl‐o‐carborane, 2‐(1‐1,2‐dicarbadodecaboranyl(12))‐pyrene VI, which exhibits dual fluorescence, because the rate of internal conversion between locally‐excited (LE) and charge transfer (CT) (from the pyrene to the carborane) states is faster than the radiative decay rate, leading to a thermodynamic equilibrium between the 2 states, 4 shows only single fluorescence, as the CT state involving the carborane as the acceptor moiety in not kinetically accessible, so a more localized CT emission involving the julolidine‐like pyrene moiety is observed.
The effect of PVP and PVA on hydrate formation kinetics of ethane and propane mixture in the presence of kaolin nanoparticles
Authors: Kiani J. , Gholami P. , Makenali F. , Bahrami M. 
Published: May 2024

AbstractThe blockage of gas transmission pipelines due to gas hydrates poses a significant challenge for the gas industry. Low‐dosage hydrate inhibitors (LDHI) are utilized to influence the kinetics of hydrate formation, including nucleation, growth, and/or agglomeration. In the current study, a series of batch, isochoric, and isothermal tests were carried out to investigate the impacts of two LDHIs, poly N‐vinylpyrrolidone (PVP) and polyvinyl alcohols (PVA). This study examined the influence of these inhibitors on nucleation and growth of ethane+propane mixture in the presence of kaolin nanoparticles. In laboratory studies and using pure constituents, the rate of hydrate formation is low to investigate the inhibitors effect. To enhance the rate of hydrate formation, kaolin nanoparticles were utilized as they serve as a suitable representative for solid minerals commonly found in pipelines. The gas phase's compositional change were measured using a gas chromatograph. The results revealed that the growth stage of mixed‐gas exhibited two distinct steps, attributed to the formation of two different structures known as structure II and structure I. During the first step, structure II was formed, and the cavities were occupied by both gas components. In the second stage, structure I was formed by ethane. The effect of temperature on the induction time (nucleation rate) and the growth rate during the second stage was lower than that at the first stage. The increase in PVA concentration resulted in an increase in the induction time and a decrease in the rate of growth during the first stage. The performance of PVA was found to be affected by temperature. Lower temperatures resulted in the formation of less foam, providing improved performance for PVA at −0.5°C. PVP had a stronger impact on induction time and both growth steps compared to PVA, indicating stronger inhibitory impact of PVP on nucleation of hydrates initiated by propane and the growth of both propane and ethane hydrates.
Novel Octahedral Nickel (II) Complex with Flexible Piperazinyl Moiety Exhibits Potent Cytotoxic Effect Along with Anti‐Migratory and Anti‐Metastatic Effect on Human Cancer Cells
Authors: Mandal Bikramaditya , Pramanik Anik , Sarkar Debanjan , Haldar Anwesha , Das Dona , Saha Rajat , Mandal Debdas , Bhattacharyya Sankar 
Published: May 2024

AbstractSynthesis of non‐platinum transition metal complexes with N,O donor chelating ligand for application against pathogenesis of cancer with higher efficacy and selectivity is currently an important field of research. We assessed the anti‐cancer effect of a mixed ligand Ni(II) complex on human breast and lung cancer cell lines in this investigation. Mononuclear mixed ligand octahedral Ni(II) complex [NiIIL(NO3)(MeOH)] complex (1), with tri‐dentate phenol‐based ligand 2,4‐dichloro‐6‐((4‐methylpiperazin‐1‐yl) methyl) phenol (HL) along with methanol and nitrate as ancillary ligand was prepared. Piperazine moiety of the ligand exists as boat conformation in this complex as revealed from single crystal X‐ray study. UV–visible spectrum of complex (1) exhibits three distinct d‐d bands due to spin‐allowed 3 A2 g→3T1 g (P), 3 A2 g→3T1 g(F) and 3 A2 g→3T2 g(F) transitions as expected in an octahedral d8 system. Our study revealed that Complex (1) induces apoptotic cell death in mouse and human cancer cells such as mcf‐7, A549 and MDA‐MB‐231 through transactivation of p53 and its pro‐apoptotic downstream targets in a dose dependent manner. Furthermore, complex (1) was able to slow the migratory rate of MDA‐MB‐231 cells′ in vitro as well as epithelia ‐mesenchymal transition (EMT), the key step for metastatic transition and malignancy. Over all our results suggest complex (1) as a potential agent in anti‐tumor treatment regimen showing both cytotoxic and anti‐metastatic activity against malignant neoplasia.