2025-B3 Deciphering Metal Organic Framework- Environmental Interaction and their implication on Environmental health

Project highlights

Interdisciplinary supervisory team of world-leading environmental nano scientists, material scientists, ecotoxicologists and data sciences from academia and industry.

Unique laboratory facilities at newly built molecular sciences building at the University of Birmingham, Daphnia culture facility, access to Diamond Synchrotron Facility through Diamond Birmingham Collaboration.

Ongoing team of international collaborators with a possibility of international secondments in India and Cyprus for the project.

Overview

This CENTA3 project focuses on investigating the environmental interactions and environmental health implications of Metal-Organic Frameworks (MOFs), particularly nanoscale MOFs (nMOFs). These versatile materials are increasingly used in gas storage, water treatment, drug delivery, and sensing technologies. However, little is known about how MOFs transform in different environmental conditions during their useful life, and the potential risks these changes pose, particularly when released into air, water, or biological systems.

This project aims to bridge this knowledge gap by systematically studying how MOFs interact with various environmental factors, including atmospheric pollutants, water, and soil. The research will explore the structural and chemical transformations that MOFs undergo during these interactions, providing critical insights into their life cycle and environmental fate. The project is divided into two phases. In the first phase, nMOFs will be synthesized, characterized, and exposed to a range of environmental conditions to observe their transformations. Using advanced tools such as synchrotron-based spectroscopy, the team will track real-time changes in the MOF structures, aiming to understand how environmental factors affect MOF properties and potential risks.

In the second phase, the focus will shift to assessing the toxicological impacts of transformed MOFs on ecosystems using Daphnia magna, a model organism for aquatic toxicity studies. By studying survival, reproduction, and behavioral changes in daphnids, the project will provide an ecologically relevant perspective on how MOFs could affect aquatic ecosystems.

Additionally, the project will incorporate data science techniques to develop machine learning models based on the generated experimental data. These models will predict the toxicity of MOFs under various environmental conditions, enabling a more efficient and comprehensive risk assessment. The modelling will contribute to the development of predictive tools that can inform policymakers and regulators about the potential risks associated with MOFs, helping to shape safer material design and usage.

By generating novel data on MOF transformations and their ecological impacts, this project aims to influence global policy, especially in developing countries. The long-term goal is to ensure safer and more sustainable industrial applications of MOFs while promoting global safety standards and advancing scientific understanding of their environmental implications.

Figure 1: Understanding the transformation profile of Metal Organic Framework as a strategy to improve their safety and sustainability.

CENTA Flagship

This is a CENTA Flagship Project

Case funding

This project is suitable for CASE funding

Host

University of Birmingham

Theme

Climate and Environmental Sustainability

Supervisors

Project investigator

Swaroop Chakraborty (University of Birmingham), [email protected]

Co-investigators

Iseult Lynch (University of Birmingham), [email protected]

How to apply

Each host has a slightly different application process.
Find out how to apply for this studentship.
All applications must include the CENTA application form.
Choose your application route

Methodology

The project will begin by synthesising and characterising nMOFs using techniques such as X-ray Diffraction (XRD), Inductively Coupled Plasma Mass Spectrometry (ICP-MS), and Transmission Electron Microscopy (TEM) to determine their pristine structure and chemical properties.

Release and transformation studies will be conducted at laboratory scale, simulating environmental conditions such as varying pH, temperature, and pollutant exposure in air, water, and soil matrices. In situ B18 X-ray Absorption Spectroscopy at Diamond Light Source will be used to track structural and chemical transformations in the nMOFs, providing detailed insights into their environmental interactions. The project will then assess the acute toxicity of pristine versus transformed nMOFs using D. magna, focusing on survival, reproduction, and behavioural effects to gauge potential ecosystem risks.

Finally, the collected data will be used during secondment to CASE partner NovaMechanics to develop machine learning models that predict nMOF toxicity under various environmental conditions, enabling in silico risk assessment.

Training and skills

DRs will be awarded CENTA Training Credits (CTCs) for participation in CENTA-provided and ‘free choice’ external training. One CTC can be earned per 3 hours training, and DRs must accrue 100 CTCs across the three and a half years of their PhD.

The project will offer training in advanced analytical techniques such as synchrotron-based spectroscopy, electron microscopy, and ICP-MS for characterising MOF transformations. It will also include ecotoxicological assessments using D. magna to evaluate acute and chronic environmental impacts and generate mechanistic insights regarding the nMOF properties / transformations driving toxicity. Participants will develop skills in data analysis and modelling for predicting MOF toxicity, in collaboration with NovaMechanics. Additionally, the project provides opportunities for training in science communication, policy engagement, and project management, enabling a comprehensive understanding of environmental health risks and contributing to the development of safer, sustainable nMOF applications.

Partners and collaboration

Name of CASE partner	Dr Antreas Afantitis , NovaMechanics Limited, Cyprus, [email protected]
Research Center Partner (UKCEH)	Co-I: Prof Dave Spurgeon (UK Center for Ecology and Hydrology) [email protected]
International Partner	Superb Misra (International Partner- Indian Institute of Technology, Gandhinagar) [email protected]
Environmental Agency	Collaborator- Dr Simon Hoy (Environmental Agency) [email protected]

This project brings together an interdisciplinary team with expertise in materials-environmental interactions, toxicology, and data science. Dr. Chakraborty and Professor Lynch provide focusing on MOF-environment interactions and transformation expertise. CASE partner Dr. Afantitis, an expert in data science and machine learning, will be crucial in training the DR to develop machine learning models for MOFs transformation data. Professor Misra, a materials scientist, will support the synthesis of MOFs, while Professor Spurgeon, a toxicologist, will provide supervision of toxicology of MOFs. Collaborator Dr. Hoy, an expert in nanomaterials risk assessment, will contribute insights on MOF-environment interactions and their risk assessment.

Further details

For any enquiries related to this project please contact Dr Swaroop Chakraborty, School of Geography, Earth and Environmental Sciences, University of Birmingham, UK, email- [email protected].

 To apply to this project: 

You must include a CENTA studentship application form, downloadable from: CENTA Studentship Application Form 2025.

You must include a CV with the names of at least two referees (preferably three) who can comment on your academic abilities.

Please submit your application and complete the host institution application process via: https://sits.bham.ac.uk/lpages/LES068.htm.   Please select the PhD Geography and Environmental Science (CENTA) 2025/26 Apply Now button. The CENTA Studentship Application Form 2025 and CV can be uploaded to the Application Information section of the online form.  Please quote CENTA 2025-B3  when completing the application form.

 Applications must be submitted by 23:59 GMT on Wednesday 8th January 2025.  

Possible timeline

Year 1

Project Setup and Initial Studies

Training and Skill Development: Training in analytical techniques (synchrotron-based spectroscopy, ICP-MS), experimental design, and data handling.

MOF Synthesis and Characterization: Synthesise and characterise Metal-Organic Frameworks (MOFs) using XRD, ICP-MS, and TEM.

Initial Transformation Studies: Begin laboratory-scale studies to observe MOF transformations under various environmental conditions (pH, temperature, pollutants).

Year 2

Experimental Work and Advanced Analysis

In-depth Transformation Studies: Continue transformation experiments with real-time tracking of MOF changes using B18 X-ray Absorption Spectroscopy at Diamond Light Source.

Toxicity Testing: Training in daphnia culturing. Begin acute toxicity studies using D. magna to evaluate the ecological impact of nMOFs.

Data Collection and Initial Analysis: Collect data from experiments and perform preliminary analysis. Begin writing initial research papers.

Conference Attendance: Present early results at national and international conferences.

Year 3

Data Analysis and Model Development

Extended Toxicity and Transformation Studies: Continue toxicity assessments and complete transformation experiments.

Machine Learning Model Development: Collaborate with NovaMechanics to develop machine learning models predicting MOF toxicity based on experimental data.

Publication and Dissemination: Write and submit papers on findings from experimental studies. Attend conferences to share research.

Year 4: Final Analysis, Thesis Writing, and Dissemination

Data Finalisation and Model Validation: Complete data analysis and validate machine learning models for MOF toxicity prediction.

Thesis Writing: Focus on writing the final thesis (thesis by publications), consolidating all experimental findings, data analysis, and conclusions.

Final Paper Writing: Submit final papers for publication in high-impact journals.

Thesis Defence and Graduation: Prepare for the PhD viva and defence.

Dissemination and Policy Engagement: Present findings at conferences and engage with policymakers on the safe use of MOFs in industry.