Atomic-level design of metalloenzyme-like active pockets in metal–organic frameworks for bioinspired catalysis

W Xu, Y Wu, W Gu, D Du, Y Lin, C Zhu - Chemical Society Reviews, 2024 - pubs.rsc.org
Natural metalloenzymes with astonishing reaction activity and specificity underpin essential
life transformations. Nevertheless, enzymes only operate under mild conditions to keep …

Exploring the Structural, Dynamic, and Functional Properties of Metal‐Organic Frameworks through Molecular Modeling

F Formalik, K Shi, F Joodaki, X Wang… - Advanced Functional …, 2024 - Wiley Online Library
This review spotlights the role of atomic‐level modeling in research on metal‐organic
frameworks (MOFs), especially the key methodologies of density functional theory (DFT) …

[HTML][HTML] Computer-aided nanodrug discovery: recent progress and future prospects

JJ Zheng, QZ Li, Z Wang, X Wang, Y Zhao… - Chemical Society …, 2024 - pubs.rsc.org
Nanodrugs, which utilise nanomaterials in disease prevention and therapy, have attracted
considerable interest since their initial conceptualisation in the 1990s. Substantial efforts …

Ligand-regulated photoinduced electron transfer within metal–organic frameworks for efficient photocatalysis

Y Tang, G Ji, H Li, H Gao, C He, L Zhao… - Inorganic Chemistry …, 2023 - pubs.rsc.org
Dye-based metal–organic frameworks (MOFs) have received great attention due to their
excellent photochemical stability in photocatalysis. However, the control of photoinduced …

Electrochemically Determined and Structurally Justified Thermochemistry of H atom Transfer on Ti-Oxo Nodes of the Colloidal Metal–Organic Framework Ti-MIL-125

NG Altınçekiç, CW Lander, A Roslend… - Journal of the …, 2024 - ACS Publications
Titanium dioxide (TiO2) has long been employed as a (photo) electrode for reactions
relevant to energy storage and renewable energy synthesis. Proton-coupled electron …

Sulfur atom-directed metal–ligand synergistic catalysis in zirconium/hafnium-oxo clusters for highly efficient amine oxidation

SN Sun, Q Niu, JM Lin, LL He, JW Shi, Q Huang, J Liu… - Science Bulletin, 2024 - Elsevier
The performance applications (eg, photocatalysis) of zirconium (Zr) and hafnium (Hf) based
complexes are greatly hindered by the limited development of their structures and the …

A sustainable chrome-free tanning approach based on Zr-MOFs functionalized with different metals through post-synthetic modification

J Chen, J Ma, Q Fan, W Zhang, R Guo - Chemical Engineering Journal, 2023 - Elsevier
The development of chrome-free tanning agents is of great significance for the green and
sustainable improvement of the leather industry. Metal organic framework (MOFs) is a kind …

Eosin Y Post-Decorated Metal–Organic Framework as a Selectivity Regulator for the Alcohols Oxidation

H Gao, Y Tang, S Liu, C He, H Li, L Zhao… - ACS Applied Materials …, 2024 - ACS Publications
The selective oxidation of alcohols into aldehydes is a basic and significant procedure, with
great potential for scientific research and industrial applications. However, as an important …

Metalation of metal–organic frameworks: fundamentals and applications

HY Li, XJ Kong, SD Han, J Pang, T He… - Chemical Society …, 2024 - pubs.rsc.org
Metalation of metal–organic frameworks (MOFs) has been developed as a prominent
strategy for materials functionalization for pore chemistry modulation and property …

Expanding the Library: Twenty New Ln (III) Metal–Organic Frameworks, Including Two Isoreticular Pairs, from Dihaloterephthalic Acid

JA Smith, MA Singh-Wilmot, CH Hossack… - Crystal Growth & …, 2024 - ACS Publications
Twenty new metal–organic frameworks (MOFs) were synthesized from 2, 5-
dihaloterephthalic acid ligands (DXTAH) and LnCl3· x H2O by varying the Ln (III) radius …