Protein Assembly by Design [0.03%]
设计中的蛋白质装配
Jie Zhu,Nicole Avakyan,Albert Kakkis et al.
Jie Zhu et al.
Proteins are nature's primary building blocks for the construction of sophisticated molecular machines and dynamic materials, ranging from protein complexes such as photosystem II and nitrogenase that drive biogeochemical cycles to cytoskel...
Site-Selective Cross-Coupling of Polyhalogenated Arenes and Heteroarenes with Identical Halogen Groups [0.03%]
相同卤素取代的多卤代芳烃和杂环芳烃的位选择性交叉偶联反应
Vignesh Palani,Melecio A Perea,Richmond Sarpong
Vignesh Palani
Methods to functionalize arenes and heteroarenes in a site-selective manner are highly sought after for rapidly constructing value-added molecules of medicinal, agrochemical, and materials interest. One effective approach is the site-select...
Volker L Deringer,Albert P Bartók,Noam Bernstein et al.
Volker L Deringer et al.
We provide an introduction to Gaussian process regression (GPR) machine-learning methods in computational materials science and chemistry. The focus of the present review is on the regression of atomistic properties: in particular, on the c...
Bing Huang,O Anatole von Lilienfeld
Bing Huang
Chemical compound space (CCS), the set of all theoretically conceivable combinations of chemical elements and (meta-)stable geometries that make up matter, is colossal. The first-principles based virtual sampling of this space, for example,...
Desulfonylation via Radical Process: Recent Developments in Organic Synthesis [0.03%]
有机合成中自由基脱磺酰化反应的最新研究进展
Xue-Qiang Chu,Danhua Ge,Yan-Ying Cui et al.
Xue-Qiang Chu et al.
As the "chemical chameleon", sulfonyl-containing compounds and their variants have been merged with various types of reactions for the efficient construction of diverse molecular architectures by taking advantage of their incredible reactiv...
Cooperative Coupling of Oxidative Organic Synthesis and Hydrogen Production over Semiconductor-Based Photocatalysts [0.03%]
基于半导体光催化剂的氧化有机合成与产氢之间的协同耦合效应研究进展
Ming-Yu Qi,Marco Conte,Masakazu Anpo et al.
Ming-Yu Qi et al.
Merging hydrogen (H2) evolution with oxidative organic synthesis in a semiconductor-mediated photoredox reaction is extremely attractive because the clean H2 fuel and high-value chemicals can be coproduced under mild conditions using light ...
Technological Innovations in Photochemistry for Organic Synthesis: Flow Chemistry, High-Throughput Experimentation, Scale-up, and Photoelectrochemistry [0.03%]
有机合成中的光化学技术革新：流动化学、高通量实验、放大及光电化学
Laura Buglioni,Fabian Raymenants,Aidan Slattery et al.
Laura Buglioni et al.
Photoinduced chemical transformations have received in recent years a tremendous amount of attention, providing a plethora of opportunities to synthetic organic chemists. However, performing a photochemical transformation can be quite a cha...
Amir H Farmahini,Shreenath Krishnamurthy,Daniel Friedrich et al.
Amir H Farmahini et al.
Computational screening methods have changed the way new materials and processes are discovered and designed. For adsorption-based gas separations and carbon capture, recent efforts have been directed toward the development of multiscale an...
Advanced Functional Luminescent Metallomesogens: The Key Role of the Metal Center [0.03%]
高级功能发光金属错序变体：中心金属的关键作用
Cristián Cuerva,Mercedes Cano,Carlos Lodeiro
Cristián Cuerva
The use of liquid crystals for the fabrication of displays incorporated in technological devices (TVs, calculators, screens of eBook's, tablets, watches) demonstrates the relevance that these materials have had in our way of living. However...
Direct Photocatalyzed Hydrogen Atom Transfer (HAT) for Aliphatic C-H Bonds Elaboration [0.03%]
长链烷烃C(sp3)-H键的直接光氧化还原氢原子转移官能化反应研究进展
Luca Capaldo,Davide Ravelli,Maurizio Fagnoni
Luca Capaldo
Direct photocatalyzed hydrogen atom transfer (d-HAT) can be considered a method of choice for the elaboration of aliphatic C-H bonds. In this manifold, a photocatalyst (PCHAT) exploits the energy of a photon to trigger the homolytic cleavag...