[HTML][HTML] Recent advances in computational modeling of MOFs: From molecular simulations to machine learning

H Demir, H Daglar, HC Gulbalkan, GO Aksu… - Coordination Chemistry …, 2023 - Elsevier
The reticular chemistry of metal–organic frameworks (MOFs) allows for the generation of an
almost boundless number of materials some of which can be a substitute for the traditionally …

MOF materials as therapeutic agents, drug carriers, imaging agents and biosensors in cancer biomedicine: Recent advances and perspectives

A Bieniek, AP Terzyk, M Wiśniewski, K Roszek… - Progress in Materials …, 2021 - Elsevier
We summarize recent advances in application of MOFs as therapeutic agents, drug carriers,
imaging agents and biosensors in cancer biomedicine. A holistic perspective is adopted to …

Biological metal–organic frameworks: Structures, host–guest chemistry and bio-applications

H Cai, YL Huang, D Li - Coordination Chemistry Reviews, 2019 - Elsevier
Biological metal–organic frameworks (BioMOFs) are a new class of crystalline porous
materials developed in the last decade that represent a subclass of metal–organic …

Insights into the Mechanochemical Synthesis of MOF-74

J Beamish-Cook, K Shankland, CA Murray… - Crystal Growth & …, 2021 - ACS Publications
Mechanochemical synthesis has recently emerged as a scalable “green” approach for the
preparation of MOFs, but current understanding of the underlying reaction mechanisms is …

Chitosan immobilization on bio-MOF nanostructures: a biocompatible pH-responsive nanocarrier for doxorubicin release on MCF-7 cell lines of human breast cancer

R Abazari, AR Mahjoub, F Ataei, A Morsali… - Inorganic …, 2018 - ACS Publications
In this work, a bio-metal–organic framework (Bio-MOF) coated with a monodispersed layer
of chitosan (CS; CS/Bio-MOF) was synthesized and applied as a pH-responsive and target …

Molecular dynamics and quantum simulation of different cationic dyes removal from contaminated water using UiO-66 (Zr)-(COOH) 2 metal–organic framework

L Feng, J Liu, NH Abu-Hamdeh, S Bezzina… - Journal of Molecular …, 2022 - Elsevier
Metal organic frameworks (MOFs) especially benzene-1, 4-dicarboxylic acid-functionalized
UiO-66 (UiO-66-(COOH) 2) with distinguished properties are great candidates for dyes …

Adsorption and degradation of volatile organic compounds by metal–organic frameworks (MOFs): a review

Y Xie, S Lyu, Y Zhang, C Cai - Materials, 2022 - mdpi.com
Volatile organic compounds (VOCs) are a major threat to human life and health. The
technologies currently used to remove VOCs mainly include adsorption and photocatalysis …

Critical aspects of the stability and catalytic activity of MIL-100 (Fe) in different advanced oxidation processes

AM Chávez, A Rey, J López, PM Álvarez… - Separation and …, 2021 - Elsevier
Abstract The Fe-based MOF MIL-100 (Fe) has been synthetized and fully characterized by
XRD, N 2-adsorption-desorption, ATR-FTIR, elemental analysis, WDXRF, XPS, DR-UV-vis …

[HTML][HTML] Advancements in molecular simulation for understanding pharmaceutical pollutant adsorption: a state-of-the-art review

I Salahshoori, S Mahdavi, Z Moradi, M Otadi… - Journal of Molecular …, 2024 - Elsevier
The contamination of natural water resources by pharmaceutical pollutants has become a
significant environmental concern. Traditional experimental approaches for understanding …

Submicron sized water-stable metal organic framework (bio-MOF-11) for catalytic degradation of pharmaceuticals and personal care products

MR Azhar, P Vijay, MO Tadé, H Sun, S Wang - Chemosphere, 2018 - Elsevier
Water-stable and active metal organic frameworks (MOFs) are important materials for
mitigation of water contaminants via adsorption and catalytic reactions. In this study, a highly …