bluuebunny/crossref_metadata_2025_split huggingface dataset:
The largest aluminum molecular rings: Phenol‐thermal synthesis, photoluminescence, and optical limiting
Authors: Wang San‐Tai , Liu Ya‐Jie , Feng Cheng‐Cheng , Fang Wei‐Hui , Zhang Jian 
Published: August 2022

AbstractIt is of great interest to modulate the photophysical properties by atomically precise chemical control. The incorporation of conjugated ligands into crystalline materials provides a platform for molecular‐level interpretation of the structure‐activity relationship. Herein, we reported the phenol‐thermal and scale‐up synthesis of a new family of remarkably stable aluminum molecular rings. They are assembled by twenty AlIII ions with large conjugated ligands and phenols, representing the currently largest sizes (up to 4 nm in diameter) in the field of main group metal oxo clusters. Phenols are not only reaction medium but also auxiliary bridging ligands on the surface of macrocyclic molecules. In addition, they are either parallel to the center of the molecular ring or inserted into the molecular ring, or form dimers/tetramers that bind macrocyclic molecules to form supramolecular structures. These macrocyclic rings are hydrophobic and ultra‐stable, evidenced by retaining their morphology and crystalline when exposed to air for more than a year. Compared with the pristine conjugated ligands, they exhibit coordination‐enhanced fluorescence. By dispersing them into a polydimethylsiloxane (PDMS) matrix, we prepared transparent and flexible PDMS thin films for coupling flexible display and nonlinear optical application. Our discovery of such atomically precise rings provides a platform for the fine‐tuning of photo‐related performances.
Additive‐Free Visible‐Light‐Initiated Three‐Component Cyanation and Azidation
Authors: Wang Zhiwei , Hao Jindong , Lv Yufen , Qu Chengming , Yue Huilan , Wei Wei 
Published: August 2022

AbstractA simple and green visible‐light‐initiated strategy for the installation of cyano and azido groups has been established through multi‐component reaction of α‐diazoesters, cyclic ethers and TMSCN/TMSN3. A number of structurally diverse organic nitriles and azides could be efficiently obtained at room temperature without adding any external metal reagent, strong oxidant, base and photocatalyst. The synthetic transformations of the reaction products to some functionalized molecules were carried out to highlight the potential utility of this method.
Light‐Driven Hydrodefluorination of Electron‐Rich Aryl Fluorides by an Anionic Rhodium‐Gallium Photoredox Catalyst
Authors: Moore James T. , Dorantes Michael J. , Pengmei Zihan , Schwartz Timothy M. , Schaffner Jacob , Apps Samantha L. , Gaggioli Carlo A. , Das Ujjal , Gagliardi Laura , Blank David A. , Lu Connie C. 
Published: August 2022

AbstractAn anionic Rh−Ga complex catalyzed the hydrodefluorination of challenging C−F bonds in electron‐rich aryl fluorides and trifluoromethylarenes when irradiated with violet light in the presence of H2, a stoichiometric alkoxide base, and a crown‐ether additive. Based on theoretical calculations, the lowest unoccupied molecular orbital (LUMO), which is delocalized across both the Rh and Ga atoms, becomes singly occupied upon excitation, thereby poising the Rh−Ga complex for photoinduced single‐electron transfer (SET). Stoichiometric and control reactions support that the C−F activation is mediated by the excited anionic Rh−Ga complex. After SET, the proposed neutral Rh0 intermediate was detected by EPR spectroscopy, which matched the spectrum of an independently synthesized sample. Deuterium‐labeling studies corroborate the generation of aryl radicals during catalysis and their subsequent hydrogen‐atom abstraction from the THF solvent to generate the hydrodefluorinated arene products. Altogether, the combined experimental and theoretical data support an unconventional bimetallic excitation that achieves the activation of strong C−F bonds and uses H2 and base as the terminal reductant.
Optimization of annular distributor for industrial riser reactor with weakened catalyst attrition
Authors: Lv Guojun , Zou Xuyang , Wang Jiangzhang , Chen Yan , Wang Tao , Zhang Xubin , Wang Fumin 
Published: August 2022

AbstractCatalyst attrition and nonuniform gas–solid distribution were observed in an oil refining and chemical enterprise with straight pipe as C4 mixture gas feed zone, which induced unfavored catalytic reaction and unqualified products. In this work, a fluidized attrition experiment circulating system consisting of a riser reactor at a bench scale was constructed to implement fluidized attrition experiment. Four annular pipe distributors were designed as C4 mixture gas feed zones and compared with traditional straight pipe in order to gain insight into the catalyst attrition condition in the riser reactor. At the same time, computational fluid dynamic technique was applied to investigate the gas–solid mixing situation in the riser reactor with five different C4 mixture gas feed zones. Structure four of annular distributor with nine nozzles distributed as well as an inclination of 30° displayed a catalyst attrition of 5.7% in 12 h of fluidized circulation and possessed the best gas–solid mixing condition as well as the highest catalyst volume fraction distribution in the main catalyst reaction space. Therefore, structure four was selected as C4 mixture gas feed zone for industrial riser reactor. Flow behavior in the industrial riser reactor with the optimized C4 annular distributor was further investigated via numerical simulation and compared with traditional straight pipe as C4 mixture gas feed zone so as to provide reference for the optimization of industrial riser reactor. When annular distributor was applied, propylene yield enhanced to 19.86%, and meanwhile, enhancement of catalyst particle with size smaller than 40 μm obviously decreased in comparison with traditional riser reactor.
Research on the gas–solid corrosion characteristics of 316L alloy fiber filter bags in halogen hydride atmosphere
Authors: Chen Kuixu , Cheng Haoqiang , Huang Yaji , Ding Shouyi , Xu Ligang , Zhu Zhicheng 
Published: August 2022

AbstractIncineration is an effective means of solid waste disposal, but the acidic components in the complex flue gas generated by incineration put pressure on the dust removal, which also puts higher requirements on the corrosion resistance of the filter media. In this work, aiming at the gas–solid corrosion characteristics of 316L alloy fiber filter bag, the corrosion behavior of 316L alloy fiber filter materials in halogen hydride atmosphere was studied using fixed‐bed simulation corrosion experiments, and the mechanical properties of the filter materials after corrosion were analyzed. For the 316L alloy fiber filter bag, the influence of flue gas composition (O2 and H2O) and its concentration on the corrosion characteristics was explored. The corrosion mechanism was studied by combining the microscopic morphology and element distribution of the filter material before and after corrosion. The results show that halogen hydride has a significant corrosive effect on 316L alloy filter material, especially the catastrophic damage of 316L alloy fiber filter material in oxygen‐containing atmosphere. The addition of H2O has an obvious inhibitory effect on the reaction. Due to the circulation of the corrosive gas source, the mechanical properties of the 316L alloy fiber filter material were severely damaged and the tensile strength was greatly reduced.
Hydrophobic chitosan/salicylic acid blends film with excellent tensile properties for degradable food packaging plastic materials
Authors: Liu Jin , Wang Tianhao , Hu Canmin , Lei Li , Liang Yu , Gao Zideng , Ren Xueqin , Hu Shuwen 
Published: August 2022

AbstractDegradable plastic materials made from biopolymer Chitosan (CS) present one of the alternatives to plastic bags for food packaging, but the stability and durability limits its application. Herein, we demonstrated a facile method of producing hydrophobic CS/salicylic acid (SA) film in organic phase for the first time. SA, which can destruct hydrogen bonds of CS was initially blended with CS in N, N‐dimethylacetamide using a catalyst. On this basis, CS/SA blend was crosslinked via isocyanate to the hydrophobic CS‐SA film. The derivatives structures were characterized using SEM, FTIR, UV‐Vis, and fluorescence spectrum. The film‐forming ability of CS was maintained, while the hydrophobicity, mechanical strength, and thermal stability of films were improved. These dramatic improvements occurred with the blending effects of CS and SA and the crosslinking effects of organic isocyanate cross linker. The permeabilities to water vapor and water‐soluble substances of film were promoted, which are conducive to the application of the film as food packaging. The demonstration of bacteriostatic and grape preservation properties featured the super performance of the synthetic CS/SA film. Our work provides novel food preservation materials, which can replace the commonly used packaging materials and promote the development of the degradable food packaging plastic bags field.
Flexible epoxy‐dispersed liquid crystal membranes of intrinsic thermal conductivity with high voltage orientation molding
Authors: Li Ying , Gong Changdan , Hou Zhenzhong , Zhou Wenying , Liu Chao , Peng Longgui , Wu Yi , Shi Qin , Cheng Qiwei 
Published: August 2022

AbstractFlexible epoxy‐dispersed liquid crystal membranes (EDLC‐v membranes) with high thermal conductivity were successfully prepared by using of high voltage orientation molding. Liquid crystal monomer (LCM) was uniformly dispersed into flexible epoxy polymers cured by trimethylolpropane tris(3‐mercaptopropionate) (TTMP) or pentaerythritol tetra(3‐mercaptopropionate) (PETMP). In‐plane thermal conductivity (TC//) of EDLC‐v membranes reached to 1.47 W m−1 K−1 with LCM content of 30 wt%, which was 5.65 times higher than that of epoxy polymers without LCM (0.26 W m−1 K−1). In addition, the tensile strength and elongation at break of EDLC‐v membranes were up to 27.9 MPa and 92.8%, respectively. The main reasons for high TC// and flexibility of EDLC‐v membranes are molecular chains' ordered arrangement, crosslinking in epoxy polymers, hydrogen bond interaction, and high voltage orientation molding. This work provided a new and feasible way to prepare intrinsic high thermal conductive polymer materials, as well as flexible epoxy polymers.
Advanced Computational Design – digitale Methoden für die frühe Entwurfsphase
Authors: Wimmer Michael , Kovacic Iva , Ferschin Peter , Rist Florian , Hensel Michael , Schinegger Kristina , Rutzinger Stefan , Kaufmann Hannes , Kilian Martin , Müller Christian , Izmestiev Ivan , Nawratil Georg , Füssl Josef , Stavric Milena , Hahn David , Suter Georg 
Published: August 2022

AbstractIm SFB Advanced Computational Design werden Entwurfswerkzeuge und ‐prozesse durch multi‐ und interdisziplinäre Grundlagenforschung entwickelt. Das Ziel ist, durch eine neue Generation von Computational‐Design‐Methoden höhere Entwurfsqualität und effizientere Prozesse in Architektur und Bauwesen zu ermöglichen. Die Forschung wird in drei Bereichen durchgeführt: Entwurfsmethodik (A1), visuelle und haptische Entwurfsinteraktion (A2) und Formfindung (A3). Der Bereich A1 umfasst die konzeptionelle Grundlage für neuartige digitale Entwurfsmethoden basierend auf Lernmethoden. Zudem werden die in den Bereichen A2 und A3 entwickelten Computational‐Design‐Werkzeuge und ‐Methoden in einer Plattform verknüpft. Der Bereich A2 eröffnet Designern neuartige Feedback‐Kanäle in digitalen Werkzeugen durch Lichtsimulation und haptisches Feedback. Im Bereich A3 werden die Randbedingungen im Formfindungsprozess hinsichtlich Geometrie, Material, Mechanik und Statik untersucht. Die Schwerpunkte liegen in der Unterteilung von komplexen Flächen in Paneele, der Analyse von formaktiven Strukturen sowie der Modellierung und experimentellen Analyse von neuartigen Kompositmaterialien. Die Exploration von Entwürfen in Interaktion mit intelligenten Materialmodellen und Algorithmen zur Bewertung der Tragstruktur dient einerseits der Entwicklung eines methodischen Ansatzes für die Entdeckung von neuen Möglichkeiten in der Formfindung und ermöglicht andererseits die experimentelle Validierung.
Demonstrate and evaluate lab activity about antimicrobial sensitivity
Authors: Koumpena Valentina E. , Stasinakis Panagiotis K. 
Published: August 2022

AbstractLab activities in primary and secondary education are essential to promote students' scientific skills. In this article, we propose a lab activity where different antimicrobial agents are used to the microorganisms' susceptibility to them. Moreover, we produce a rubric, a scoring tool, to quantify students' replies and evaluate the whole activity. We concluded that using the scoring rubric, we have been able to evaluate students' replies and students' benefit.
CRISPR in butterflies: An undergraduate lab experience to inactivate wing patterning genes during development
Authors: Thulluru Aamani , Saad Luisa , Nagah Abdou Yasmin , Martin Arnaud , Kee Hooi Lynn 
Published: August 2022

AbstractCRISPR is a technique increasingly used in the laboratory for both fundamental and applied research. We designed and implemented a lab experience for undergraduates to carry out CRISPR technology in the lab, and knockout the wing patterning genes optix and WntA in Vanessa cardui butterflies. Students obtained spectacular phenotypic mutants of butterfly wings color and patterns, awakening curiosity about how genomes encode morphology. In addition, students successfully used molecular techniques to genotype and screen wild‐type caterpillar larvae and butterflies for CRISPR edits in genes. Student feedback suggests that they experienced a meaningful process of scientific inquiry by carrying out the whole CRISPR workflow process, from the design and delivery of CRISPR components through microinjection of butterfly eggs, the rearing of live animals through their complete life cycle, and molecular and phenotypic analyses of the resulting mutants. We discuss our experience using CRISP genome editing experiments in butterflies to expose students to hands‐on research experiences probing gene‐to‐phenotype relationships in a charismatic and live organism.
Exploring the relationship between environmental collaboration and business performance with mediating effect of responsible consumption and production
Authors: Mishra Ruchi , Singh Rajesh Kr , Subramanian Nachiappan 
Published: August 2022

AbstractThis study aims to examine the relationship between inter‐organisational and intraorganisational environmental collaboration practices and business performance. It also investigates the mediating role of responsible consumption and production practices on various environmental collaboration and business performance relationships. Drawing from the relational view and resource‐based view, a model to analyse environmental collaboration, responsible consumption and production practices and business performance relationships is theorised and examined using a sample of 249 from manufacturing firms. Direct and mediating relationships between constructs have been assessed through structural equation modelling technique. Environmental collaboration with suppliers, customers and logistics providers directly influences firms' business performance. However, mediation analysis suggests the direct relationship between environmental collaboration practices with suppliers and business performance weakened in the presence of responsible consumption and production practices, indicating partial mediation between environmental collaboration with suppliers and business performance relationship. Also, direct relationships between environmental collaboration with customers and logistics providers and business performance become nonsignificant in the presence of responsible consumption and production practices, indicating the full mediating effect of responsible consumption and production practices. This study extends supply chain collaboration and sustainable development goal literature by offering valuable insights into environmental collaboration, responsible consumption and production and business performance relationships. The findings can assist practitioners in improving business performance through environmental collaboration and responsible consumption and production practices.
Comparison of the long‐term outcomes of patients with hepatocellular carcinoma within the Milan criteria treated by ablation, resection, or transplantation
Authors: Zhang Ning‐Ning , Zheng Jian , Wu Ying , Lv Jia‐Yu , Zhang Shu‐Wen , Zhang Ya‐Min , Jiang Wen‐Tao , Song Tian‐Qiang , Kim Victoria , Tohme Samer , Liu Tian , Zhang Wei , Gu Jie , Wang Ze‐Yu , Suo Yu‐Hong , Wang Shuai , Li Wang , Zhang Li , Xie Yan , Zhou Yong‐He , Liu Jian‐Yong , Qiu Yi‐Bo , Shen Zhong‐Yang , Hao Ji‐Hui , Geller David , Lu Wei 
Published: August 2022

AbstractBackgroundLiver transplantation (LT), resection (LR), and ablation (LA) are three curative‐intent treatment options for patients with early hepatocellular carcinoma (HCC). We aimed to develop a prognostic calculator to compare the long‐term outcomes following each of these therapies.MethodsA total of 976 patients with HCC within the Milan criteria who underwent LT, LR, and LA between 2009 and 2019 from four institutions were evaluated. Multistate competing risks prediction models for recurrence‐free survival (RFS), recurrence within the Milan criteria (RWM), and HCC‐specific survival (HSS) were derived to develop a prognostic calculator.ResultsDuring a median follow‐up of 51 months, 420 (43%) patients developed recurrence. In the multivariate analysis, larger tumor size, multinodularity, older age, male, higher alpha‐fetoprotein (AFP), higher albumin‐bilirubin (ALBI) grade, and the presence of portal hypertension were significantly associated with higher recurrence and decreased survival rates. The RFS and HSS were both significantly higher among patients treated by LT than by LR or LA and significantly higher between patients treated by LR than by LA (all p < 0.001). For multinodular HCC ≤3 cm, although LT had better RFS and HSS than LR or LA, LA was noninferior to LR. An online prognostic calculator was then developed based on the preoperative clinical factors that were independently associated with outcomes to evaluate RFS, RWM, and HSS at different time intervals for all three treatment options.ConclusionsAlthough LT resulted in the best recurrence and survival outcomes, LR and LA also offered durable long‐term alternatives. This prognostic calculator is a useful tool for clinicians to guide an informed and personalized discussion with patients based on their tumor biology and liver function.
Oxoplatin‐Based Pt(IV) Lipoate Complexes and Their Biological Activity
Authors: Liu Xiao , Barth Marie‐Christin , Cseh Klaudia , Kowol Christian R. , Jakupec Michael A. , Keppler Bernhard K. , Gibson Dan , Weigand Wolfgang 
Published: August 2022

Abstractα‐Lipoic acid, known for its anti‐inflammatory and antioxidant activity, represents a promising ligand for Pt(IV) prodrugs. Three new Pt(IV) lipoate complexes were synthesized and characterized by NMR spectroscopy (1H, 13C, 195Pt), mass spectrometry and elemental analysis. Due to the low solubility of the complex containing two axial lipoate ligands, further experiments to examine the biological activity were performed with two Pt(IV) complexes containing just one axial lipoate ligand. Both complexes exhibit anticancer activity and produce reactive oxygen species (ROS) in the cell lines tested. Especially, the monosubstituted complex can be reduced by ascorbic acid and forms adducts with 9‐methylguanine (9MeG), which is favorable for the formation of DNA‐crosslinks in the cells.
Hyponatremia‐induced generalized seizure after taking polyethylene glycol for colon preparation—A case report and brief review of the literature
Authors: Seyrafian Shiva , Sebghatollahi Vahid , Bastani Bahar 
Published: August 2022

AbstractSevere hyponatremia is life‐threatening in hospitalized patients. We present an elderly female who developed severe hyponatremia, seizure, and loss of consciousness after taking polyethylene glycol (PEG) solution before colonoscopy. The risk of hyponatremia with PEG for colon preparation in elderly susceptible patients is high. We review the relevant literature.
Insights into Tripodal Tris(pyrazolyl) Compounds as Ionophores for Potentiometric Ammonium Ion Sensing
Authors: Colozza Noemi , Casanova Ana , Fernández‐Pérez Bibiana M. , Crespo Gaston A. , Flores Gabriel A. , Kavallieratos Konstantinos , de Gracia Juan , Ahlquist Mårten , Cuartero Maria 
Published: August 2022

AbstractThe decentralisation of accurate determination of the ammonium ion (NH4+) is relevant for environmental monitoring (i. e., nitrogen cycle) and certain clinical applications (e. g., kidney and liver diseases). Potentiometric ionophore‐based sensors are one alternative for these purposes in terms of versatile implementation, though the potassium ion (K+) is known to be a major source of interference. We herein investigate the use of three different tripodal tris(pyrazolyl) compounds derived from 1,3,5‐triethylbenzene as NH4+ ionophores. A complete set of potentiometric experiments together with theoretical simulations reveals suitable analytical performance while demonstrating a suppression of the K+ interference given the formation of an adequate cavity in the ionophore to host NH4+ over K+ in the membrane environment. The results support the use of these electrodes in the analytical detection of NH4+ in a wide range of samples with variable contents.
Theoretical and Experimental Research on the Preparation of Ordered Diamond Nanoarrays by the Al Mask Method
Authors: Sun Shiyang , Che Xuanmo , Zhang Junhao , Tan Xin , Xu Pingping , Ren Yuan , Yang Qiao 
Published: August 2022

AbstractThe metal mask method is widely used for preparing diamond nanowires but has the problem of random structure distribution and inaccurate size control. This paper presents the first‐principle calculations for Al atoms’ adsorption and migration behavior on diamond surfaces. The results show that the adsorption energy of Al atom is 0.2 eV, and the activation energy is 0.01 eV, resulting in the instability of the diamond/Al interface. The metal Al at the interface forms nanospheres at high temperatures. Similarly, its size and distribution depend on the diamond surface topography. Therefore, the anodic aluminum oxide template micro‐etching method is adopted to improve the metal mask preparation method and realize diamond nanoarrays’ size and distribution control.