skip to primary navigationskip to content

Most Accessed Article 2014

last modified Mar 16, 2015 02:25 PM

A paper published by the Adsorption & Advanced Materials Lab last year has been selected as a Most Accessed Article for 2014 in the Journal of Materials Chemistry B, and as such it has been included in the Most Accessed Articles 2014 web collection. The featured paper is Screening of bio-compatible metal-organic frameworks as potential drug carriers using Monte Carlo simulations, by Maria C. Bernini, David Fairen-Jimenez,* Marcelo Pasinetti, Antonio J. Ramirez-Pastor and Randall Q. Snurr, J. Mater. Chem. B, 2014, 2, 766-774.

The paper describes for the first time the use of computational methods based on grand canonical Monte Carlo simulations for screening a series of bio-compatible porous metal-organic frameworks (MOFs) as carrier systems for drug molecules. MOFs, one of the most exciting developments in recent porous materials science, show great promise in nanomedicine applications due to their large pore volumes and structural properties. MOFs have the potential to deliver drugs (including siRNAs and small peptides) in a more targeted and timely way, with the potential of radically improving patients’ experience of treatments for Alzheimer’s and chemotherapy for cancer. By using molecular simulations, we were able to study the adsorption mechanisms of drugs on MOFs and to analyse the influence of the MOF textural properties such as pore volume and pore size distribution in the drug adsorption–delivery phenomena on these interesting materials.

The paper can be accessed from DOI: 10.1039/C3TB21328E

Snapshots of ibuprofen (green molecules) in BioMOF-100 at different uptakes

Photo credit: Lluna Gallego

Related content
Person ATK insetDr David Fairen-Jimenez
Filed under:

Share this

RSS Feed Latest news

Machine learning predicts mechanical properties of porous materials

May 16, 2019

Machine learning can be used to predict the properties of a group of materials that, according to some, could be as important to the 21st century as plastics were to the 20th.

Alumna Fiona Erskine publishes “The Chemical Detective” book

May 10, 2019

Chemical Engineering alumna and writer Fiona Erskine publishes “The Chemical Detective”, a crime thriller with a chemical engineering protagonist.

New approach to drug discovery could lead to personalised treatment of neuropsychiatric disorders

May 09, 2019

Researchers from our Centre for Neuropsychiatric Research have developed a method that could drastically accelerate the search for new drugs to treat mental health disorders such as schizophrenia.

View all news

Upcoming events

CEB Research Conference 2019

Jun 25, 2019

Department of Chemical Engineering and Biotechnology, Philippa Fawcett Drive, Cambridge, CB3 0AS

Machine learning and AI in (bio)chemical engineering

Jul 08, 2019

Department of Chemical Engineering and Biotechnology, Philippa Fawcett Drive, Cambridge, CB3 0AS

Stokes200 Symposium

Sep 15, 2019

Pembroke College, Cambridge

VPF8 Viscoplastic Fluids: from Theory to Application 2019

Sep 16, 2019

Jesus College, Cambridge

Upcoming events