How Axial Coordination Regulates the Electronic Structure and C-H Amination Reactivity of Fe-Porphyrin-Nitrene? [0.03%]
轴向配位是如何调控Fe-卟啉-亚硝基的电子结构及C-H胺化的反应性？
Mayank Mahajan,Bhaskar Mondal
Mayank Mahajan
Detailed electronic structure and its correlation with the intramolecular C-H amination reactivity of Fe-porphyrin-nitrene intermediates bearing different "axial" coordination have been investigated using multiconfigurational complete activ...
Thermo-Electro-Responsive Redox-Copolymers for Amplified Solvation, Morphological Control, and Tunable Ion Interactions [0.03%]
用于增强溶剂化、形态控制和可调离子相互作用的热电响应型氧化还原共聚物
Raylin Chen,Hanyu Wang,Mathieu Doucet et al.
Raylin Chen et al.
Electro-responsive metallopolymers can possess highly specific and tunable ion interactions, and have been explored extensively as electrode materials for ion-selective separations. However, there remains a limited understanding of the role...
Effect of ESIPT-Induced Photoisomerization of Keto-Enamine Linkages on the Photocatalytic Hydrogen Evolution Performance of Covalent Organic Frameworks [0.03%]
ESIPT诱导的酮亚胺键光异构化对共价有机框架光催化产氢性能的影响
Weijun Weng,Zheng Lin,Hualei Zhang et al.
Weijun Weng et al.
Photoexcitation of keto-enamine allows intramolecular proton transfer from C-NH to C=O, leading to tautomerization, while the photogenerated isomers are excluded from the study of photocatalytic applications. Herein, we demonstrate the phot...
Machine Learning-Assisted Engineering of Light, Oxygen, Voltage Photoreceptor Adduct Lifetime [0.03%]
机器学习辅助设计光、氧、电压光受体复合物寿命
Stefanie Hemmer,Niklas Erik Siedhoff,Sophia Werner et al.
Stefanie Hemmer et al.
Naturally occurring and engineered flavin-binding, blue-light-sensing, light, oxygen, voltage (LOV) photoreceptor domains have been used widely to design fluorescent reporters, optogenetic tools, and photosensitizers for the visualization a...
Molecular Engineering of Sulfone-Xanthone Chromophore for Enhanced Fluorescence Navigation [0.03%]
磺酮-二氢呫吨染料的分子工程以提高荧光导航效果
Hong Zhang,Fei-Fan Xiang,Yan-Zhao Liu et al.
Hong Zhang et al.
Enriching the palette of high-performance fluorescent dyes is vital to support the frontier of biomedical imaging. Although various rhodamine skeletons remain the premier type of small-molecule fluorophores due to the apparent high brightne...
Weiqiang Tang,Shuangliang Zhao,Jun Huang
Weiqiang Tang
Fundamental properties of the Au(111)-KPF6 interface, particularly the potential of zero charge (PZC), exhibit pronounced variations among solvents, yet the origin remains largely elusive. In this study, we aim to link the solvent dependenc...
Effect of the Structure of Epoxy Monomers and Curing Agents: Toward Making Intrinsically Highly Thermally Conductive and Low-Dielectric Epoxy Resins [0.03%]
环氧单体和固化剂的结构对制备高导热率低介电常数环氧树脂的影响
Junliang Zhang,Lin Dang,Fengyuan Zhang et al.
Junliang Zhang et al.
The low intrinsic thermal conduction and high dielectric properties of epoxy resins have significantly limited their applications in electrical and electronic devices with high integration, high frequency, high power, and miniaturization. H...
Regiodivergent sp3 C-H Functionalization via Ni-Catalyzed Chain-Walking Reactions [0.03%]
通过Ni催化的链行走反应实现区域发散的sp3 C-H官能化
Jesus Rodrigalvarez,Franz-Lucas Haut,Ruben Martin
Jesus Rodrigalvarez
The catalytic translocation of a metal catalyst along a saturated hydrocarbon side chain constitutes a powerful strategy for enabling bond-forming reactions at remote, yet previously unfunctionalized, sp3 C-H sites. In recent years, Ni-cata...
Theoretical Approach toward a Mild Condition Haber-Bosch Process on the Zeolite Catalyst with Confined Dual Active Sites [0.03%]
沸石限域双活性位理论促进温和条件下的哈柏-波施过程
Chunli Liu,Gaomou Xu,Tao Wang
Chunli Liu
The Haber-Bosch (H-B) process is today's dominant technology for ammonia production, but achieving a mild reaction condition is still challenging. Herein, we combined density functional theory (DFT) calculations and microkinetic modeling (M...
Membrane Protein Structures in Native Cellular Membranes Revealed by Solid-State NMR Spectroscopy [0.03%]
固态核磁共振技术揭示的细胞原生膜中的膜蛋白结构
Yan Zhang,Yuefang Gan,Weijing Zhao et al.
Yan Zhang et al.
The structural characterization of membrane proteins within the cellular membrane environment is critical for understanding the molecular mechanism in their native functional context. However, conducting residue site-specific structural ana...