[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 …

Nanoscale metal–organic frameworks for drug delivery: a conventional platform with new promise

L Wang, M Zheng, Z Xie - Journal of Materials Chemistry B, 2018 - pubs.rsc.org
Development of a controllable drug delivery system is imperative and important to reduce
the side-effects and enhance the therapeutic efficacy of drugs. Metal–organic frameworks …

High-Throughput Screening of MOF Adsorbents and Membranes for H2 Purification and CO2 Capture

G Avci, S Velioglu, S Keskin - ACS applied materials & interfaces, 2018 - ACS Publications
Metal organic frameworks (MOFs) have emerged as great adsorbent and membrane
candidates for separation of CO2/H2 mixtures. The main challenge is the existence of …

Machine learning and in-silico screening of metal–organic frameworks for O2/N2 dynamic adsorption and separation

Y Yan, Z Shi, H Li, L Li, X Yang, S Li, H Liang… - Chemical Engineering …, 2022 - Elsevier
It remains a great challenge to separate O 2 from N 2 at room temperature. Pressure swing
adsorption (PSA) technology is a potential candidate, and the development of high …

Hollow mesoporous metal–organic frameworks with enhanced diffusion for highly efficient catalysis

Y Qin, X Han, Y Li, A Han, W Liu, H Xu, J Liu - ACS Catalysis, 2020 - ACS Publications
Metal–organic frameworks (MOFs) with uniform porous structures show great promise for
size/shape-selective catalysis, but their microsized pores and narrow channels inherently …

Preparation of metal–organic frameworks UiO-66 for adsorptive removal of methotrexate from aqueous solution

M Aghajanzadeh, M Zamani, H Molavi… - Journal of Inorganic and …, 2018 - Springer
A low cytotoxic metal–organic framework (MOF) UiO-66 (UiO stands for University of Oslo)
and NH 2-UiO-66, that showed high cell viability of HFF-2 via 3-(4, 5-dimethylthiazol-2-yl) 2 …

Zinc (II)–organic framework as a multi-responsive photoluminescence sensor for efficient and recyclable detection of pesticide 2, 6-dichloro-4-nitroaniline, Fe (III) and …

XY Guo, ZP Dong, F Zhao, ZL Liu… - New Journal of Chemistry, 2019 - pubs.rsc.org
A 2D zinc (II) metal–organic framework (Zn-MOF-1) formulated as [Zn2 (L) 2 (TPA)]·
2H2O,(L= 4-(tetrazol-5-yl) phenyl-4, 2′: 6′, 4′′-terpyridine, TPA= terephthalic acid) was …

Single-pot solvothermal synthesis of single-crystalline nickel–metal organic framework nanosheets for direct iron fuel cell applications

M Ravipati, L Durai, S Badhulika - ACS Applied Energy Materials, 2023 - ACS Publications
The usage of iron leads to the generation of large quantities of scrap iron, which is
hazardous to health and causes environmental pollution. Recycling techniques are …

Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening

C Altintas, G Avci, H Daglar… - … applied materials & …, 2018 - ACS Publications
Metal–organic frameworks (MOFs) are potential adsorbents for CO2 capture. Because
thousands of MOFs exist, computational studies become very useful in identifying the top …