Dynamic Behavior, Optical Response, and Reactivity of Li-Na Nanoalloy Clusters: A Combined CDFT and ITA Perspective [0.03%]
基于CDFT和ITA的锂钠纳米合金簇的动力学行为、光学响应及反应性研究
Arpita Poddar,Anoop Ayyappan,Pratim Kumar Chattaraj
Arpita Poddar
The small Lii, Naj clusters and alloy clusters of LiiNaj are investigated by exploring their potential energy surfaces using density functional theory (DFT) calculations coupled with the ABCluster global optimization program. Structural and...
A Multi-step Synergistic Strategy for Upgrading Plastic Waste into Circular Economy Feedstocks [0.03%]
一种多步协同策略 将塑料废物转化为循环经济原料
Zequn Tang,Jing Shi,Gang Xiao et al.
Zequn Tang et al.
A significant amount of abandoned plastics has caused serious harm to the environment and ecosystems. The urgent demand for carbon-neutral technology has driven the effective recycling of plastic waste. Various chemical approaches have been...
Three-Phasic Flow Bioreactor for Obtaining 5-Formyl-2-Furancarboxylic Acid Catalyzed by an Immobilized Laccase Using Copper Sulfate as a Stabilizing Agent [0.03%]
硫酸铜稳定漆酶固定化生物反应器合成戊酰基呋喃羧酸
Nadia Guajardo,Karina Reichel,Mauricio Moncada-Basualto
Nadia Guajardo
The effect of CuSO4 on the stability of an immobilized laccase during the oxidation of HMF to FFCA was determined in a batch bioreactor and in a triphasic flow bioreactor. The enzyme was immobilized on a support functionalized with an epoxi...
Redox-Active Bis-Catecholaldimine Cu(II)-Salen Complex with Hydroxyl Functionality as Cathode Material in Li-Ion Battery [0.03%]
具有羟基官能团的红氧化活性双儿茶酚醛亚胺Cu(II)-salen配合物作为锂离子电池正极材料
Vivek Sharma,Ankit Dev Singh,Moumita Majumder et al.
Vivek Sharma et al.
In this paper, we report the synthesis, structure, and application of bis-catecholaldimine-based CuII-Salen complex as a cathode material in lithium-ion battery. [Cu(LH2)] (1) complex was prepared using the ligand 6,6'-{[Ethane-1,2-diylbis(...
Extended Tetrathiafulvalenes: Intramolecular Interactions Within 2,2'-Biphenyl-Bridged Fluorene-Dithiafulvenes [0.03%]
扩展的四硫富瓦烯：2,2'-联苯桥连芴-二硫代富瓦烯内的分子内相互作用
Peter Lundgård Krøll,Laust Rask,Florim Seljmani et al.
Peter Lundgård Krøll et al.
Tetrathiafulvalene (TTF) is a well-known redox-active molecule that undergoes two reversible one-electron oxidations to afford stable cationic species. Its redox and optical properties, as well as molecular geometry and self-association beh...
Recent Progress in the Synthesis of Energetic Compounds Functionalized With Trinitromethyl/Gem-Dinitromethyl Groups [0.03%]
含三硝基甲基/桥亚甲基二硝基官能团推进炸药化合物的研究进展
Mingren Fan,Weiqing She,Xiu&#x;e Jiang et al.
Mingren Fan et al.
This review provides a concise overview of the trinitromethyl/gem-dinitromethyl functionalized energetic compounds reported over the past decade, focusing on molecular design, synthetic routes, and performance evaluation. The skeletons of t...
Water-Swelling and Self-Healing Synergistic Design Materials: Performance Optimization and Application Prospects [0.03%]
兼具吸水和自修复协同效应的设计材料：性能优化与应用前景
Xiang Li,Wentong Lu,Jincheng Wang
Xiang Li
Materials with synergistic design of water-swelling and self-healing properties significantly enhance durability and environmental adaptability by integrating these two functionalities. This review summarizes key technologies in this field,...
Ultrafast Kerr Spectroscopy Reveals Bulk-Like Solvent Dynamics in Concentrated LiTFSI-Acetonitrile Electrolytes [0.03%]
超快克尔光谱揭示浓LiTFSI-乙腈电解质中的本征体相溶剂动力学现象
Yousaf Shah,Bruno A Cândido,Pedro Migowski et al.
Yousaf Shah et al.
Electrolyte solutions are vital to energy storage devices, significantly influencing their capacity, safety, and cost efficiency. Lithium salts based on multidentate anions have shown remarkable potential in energy storage, particularly whe...
Ryanodine-1-Calstabin Complex Stabilizers in Antidoping Research: Synthesis, Metabolism, and Characterization [0.03%]
抗兴奋剂研究中的 Ryanodine-1-Calstabin 复合稳定剂的合成、代谢及表征
Tristan Möller,Thomas Piper,Mario Thevis
Tristan Möller
Awareness of new potential doping agents and the proactive implementation of detection methods are key aspects of preventive antidoping research. Ryanodine receptor-1-calstabin complex stabilizers (RYR-stabilizers) are a novel class of drug...
Noncatalytic Hydrolysis of Epoxidized Castor Oil: A Sustainable Route to Diol-Rich Polyols and Recyclable Polyboronates [0.03%]
环氧蓖麻油的非催化水解：生成富含二醇多元醇和可回收聚硼酸酯的可持续途径
Mateusz Gosecki,Monika Gosecka,Malgorzata Urbaniak et al.
Mateusz Gosecki et al.
The shift from fossil-based to biobased feedstocks is paramount for sustainable chemical production. This work presents an efficient, catalyst-free method for synthesizing a diol-rich polyol from epoxidized castor oil. Unlike conventional a...