Ultrafast chemistry [0.03%]
超快化学
Haiwang Yong
Haiwang Yong
Communications Chemistry is delighted to present a Collection of research articles highlighting recent developments in the field of ultrafast chemistry. Here, Editorial Board Member Professor Haiwang Yong introduces the topic and outlines t...
Conrad A P Goodwin
Conrad A P Goodwin
Communications Chemistry is pleased to present a Collection of research that explores the chemistry of the rare earths and the actinides. Here, Guest Editor Conrad Goodwin highlights key themes and looks towards the future of this field.
ZrO2-enhanced Ni@C catalysts for the selective hydrogenation of maleic anhydride to γ-butyrolactone [0.03%]
ZrO2改性的Ni@C催化剂催化顺酐选择性加氢制γ-丁内酯反应研究
Shuowen Guo,Yanyang Yao,Wei Wei et al.
Shuowen Guo et al.
Ni@C catalysts modified with ZrO2 (denoted as NiZr@C) were synthesized and evaluated for the liquid‑phase hydrogenation of maleic anhydride to γ‑butyrolactone. Characterization by XRD, TEM, XPS, H2‑TPD, ICP-OES, and in‑situ FTIR reveal...
Rapid and energy-efficient ultra-large library screening for drug discovery on a SpiNNaker2 neuromorphic chip [0.03%]
一种用于药物发现的超大库筛选的快速节能SpiNNaker2神经形态芯片方法
Johnny Alexander Jimenez Siegert,Florian Kelber,Bernhard Vogginger et al.
Johnny Alexander Jimenez Siegert et al.
The virtual screening of make-on-demand small molecule libraries can prioritize drug candidates for rapid experimental validation to accelerate pre-clinical drug discovery. As ultra-large libraries grow to billions of compounds, exhaustive ...
Streamlined synthesis of β-elemene using a spatially organized multi-enzyme machinery [0.03%]
利用空间组织的多酶体系简化合成β- elemene路径产物
Mijun Li,Chaoyue Nie,Xiangxiang Zuo et al.
Mijun Li et al.
β-Elemene is a pharmaceutically important sesquiterpene, while its production from plants and chemical synthesis remains inefficient. To achieve the efficient in vitro synthesis of β-elemene from low-cost mevalonate, a hexa-enzyme cascade...
A DFT-based Raman spectral atlas and vibrational assignment of aqueous glucose structures and derivatives [0.03%]
基于DFT的葡萄糖水合结构及衍生物拉曼光谱图集和振动指派
Kang Du,Meng Zhao,Tingting Wang et al.
Kang Du et al.
Diabetes mellitus affects approximately 589 million adults worldwide, underscoring the need for accurate and noninvasive glucose monitoring to reduce complications. Although Raman spectroscopy shows promise for noninvasive blood glucose det...
Metal-free strategy for C-N cross-coupling of benzamide with sulfonamide enabled by a Smiles rearrangement [0.03%]
通过Smiles重排实现苯酰胺与磺酰胺的金属催化自由基C-N交叉偶联反应
Sukhendu Pramanick,Sudipta Baur,Ashif Iqubal et al.
Sukhendu Pramanick et al.
N-Substituted anilines and their derivatives are versatile building blocks for synthesizing pharmaceutical molecules, natural products, and functional materials. Given the significant role of biarylamine motifs in modern chemistry, the deve...
Characterization of immunomodulatory dialkylresorcinols from the human-associated HACEK bacteria [0.03%]
一类与人类有关的HACEK菌属的免疫调节化合物
Jiangnan Xia,Juan Liang,Yan Luo et al.
Jiangnan Xia et al.
Endogenous metabolites from the human microbiome play a crucial role in human health and disease. Their involvement in immune and inflammatory regulatory processes both under physiological conditions and diseases renders them essential for ...
Katsuyuki Shizu,Kuraudo Ishihara,Hiroki Uratani et al.
Katsuyuki Shizu et al.
Inorganic-type benzenes have attracted significant attention due to their unique physical and chemical properties that are different from organic benzene. In this study, we theoretically investigate the possibility of inorganic benzenes as ...
Integrating chemical priors and physical laws to mitigate hallucinations in structure-based drug design [0.03%]
结合化学先验和物理规律以减轻基于结构的药物设计中的幻觉现象
Zhongyu Liu,Yadong Liu,Yihang Zhou et al.
Zhongyu Liu et al.
Generative artificial intelligence has shown great promise in structure-based drug design (SBDD), yet existing models often suffer from a fundamental crisis of "structural hallucinations", generating molecules with high binding scores that ...