History of changes to: Development of a microscopic gas diffusion-reaction model for a H2 producing biocatalyst
Date Action Change(s) User
Nov. 27, 2023, 2:11 p.m. Added 35 {"external_links": []}
Nov. 20, 2023, 2:02 p.m. Added 35 {"external_links": []}
Nov. 13, 2023, 1:33 p.m. Added 35 {"external_links": []}
Nov. 6, 2023, 1:30 p.m. Added 35 {"external_links": []}
Aug. 14, 2023, 1:30 p.m. Added 35 {"external_links": []}
Aug. 7, 2023, 1:31 p.m. Added 35 {"external_links": []}
July 31, 2023, 1:33 p.m. Added 35 {"external_links": []}
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July 10, 2023, 1:25 p.m. Added 35 {"external_links": []}
July 3, 2023, 1:26 p.m. Added 35 {"external_links": []}
June 26, 2023, 1:25 p.m. Added 35 {"external_links": []}
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April 3, 2023, 1:26 p.m. Added 35 {"external_links": []}
Jan. 28, 2023, 11:08 a.m. Created 43 [{"model": "core.projectfund", "pk": 23996, "fields": {"project": 1180, "organisation": 2, "amount": 171251, "start_date": "2012-09-02", "end_date": "2014-09-01", "raw_data": 37758}}]
Jan. 28, 2023, 10:51 a.m. Added 35 {"external_links": []}
April 11, 2022, 3:45 a.m. Created 43 [{"model": "core.projectfund", "pk": 16096, "fields": {"project": 1180, "organisation": 2, "amount": 171251, "start_date": "2012-09-02", "end_date": "2014-09-01", "raw_data": 4586}}]
April 11, 2022, 3:45 a.m. Created 41 [{"model": "core.projectorganisation", "pk": 60964, "fields": {"project": 1180, "organisation": 1387, "role": "COLLAB_ORG"}}]
April 11, 2022, 3:45 a.m. Created 41 [{"model": "core.projectorganisation", "pk": 60963, "fields": {"project": 1180, "organisation": 1388, "role": "COLLAB_ORG"}}]
April 11, 2022, 3:45 a.m. Created 41 [{"model": "core.projectorganisation", "pk": 60962, "fields": {"project": 1180, "organisation": 1998, "role": "LEAD_ORG"}}]
April 11, 2022, 3:45 a.m. Created 40 [{"model": "core.projectperson", "pk": 37523, "fields": {"project": 1180, "person": 1487, "role": "PI_PER"}}]
April 11, 2022, 1:47 a.m. Updated 35 {"title": ["", "Development of a microscopic gas diffusion-reaction model for a H2 producing biocatalyst"], "description": ["", "\nProviding the technology for production of renewable energy is one of the grand\nchallenges of this century. There are alternatives to oil, gas and nuclear such as \nwater, wind and solar power. Of those, the latter is a virtually unlimited power source \nand we think that every effort should be undertaken to try to harvest the power \nof the sun. This is not an easy task because light energy needs to \nbe converted into a form of energy that can be stored and supplied \non demand. A convenient storage medium are molecules comprised of atoms\nthat are held together by energy-rich covalent bonds. Indeed, over millions of years \nnature has stored sun light in form of organic molecules (fossil fuels) via natural \nphotosynthesis. A carbon-free alternative storage medium is molecular hydrogen with \nthe added advantage that the energy density that can be stored with hydrogen \nis significantly larger than for fossil fuels. Thus, molecular hydrogen is envisaged as one of \nthe primary energy carriers of the future. One of the grand challenges for scientists \nis to find or design a cheap catalyst that allows for efficient production of hydrogen from \nsunlight and a source for hydrogen atoms, ideally water. \n\nClearly, one of the most sustainable approaches to hydrogen production is \nphotocatalytic water oxidation, although this process requires efficient catalysts. \nTheir design is by no means trivial and can probably be considered as the holy grail \nof contemporary material science. A viable alternative that we investigate here \nis to exploit biological molecules (hydrogenases) that can be found in microbes \nsuch as green algae and cyanobacteria capable of photosynthetic water splitting. \nPilot plants of H2 producing organisms exist, but there are major barriers that must \nbe overcome to bring the process to commercial viability. The most important one that \nneeds to be addressed is the high sensitivity of the organism's hydrogenase to \nmolecular oxygen. Evolved under anaerobic conditions, the biomolecule gets inhibited or \ndamaged upon exposure of the oxygen that is around us in the atmosphere. \n\nThere is evidence that hydrogenases may be modified so as to render the molecule \nless sensitive to oxygen. In order to facilitate this optimization process we propose\nhere to investigate theoretically the primary events of the oxidative damage, that is diffusion \nand binding of oxygen molecules to the active site of hydrogenases, by developing \nnovel molecular simulation methods. The simulations will help to understand and \ninterpret recent experimental measurements on a molecular level. For example, \nthey will allow us to understand which pathways oxygen molecules take before they \ndamage the active site and how fast this process occurs. The microscopic information \ngained from simulation will be vital for the suggestion of modifications (mutations) \nof hydrogenase that aim to restrict the access and the binding of molecular oxygen \nwhile leaving the catalytic power for hydrogen production unchanged. The effects \nof the suggested mutations will be predicted by our simulations and tested in vitro \nby an experimental colleague. \n\nThe long term goal of this project is to obtain a hydrogenase mutant with \nsignificantly increased aerotolerance, which can be used for hydrogen production \non a technological scale. This would have a tremendous socio-economic impact \nas the hydrogen industry is likely to take a prominent position on the \nfuture energy market.\n\n"], "extra_text": ["", "\n\nPotential Impact:\nThe results of the research proposed will reach out to a diverse range of people and\ncommunities including\n\n- academics interested in fundamental and applied bioenergy research detailed in the section\n 'Academic Beneficiaries'. \n\n- Users of the popular Gromacs computer simulation program, benefitting from code development \n as proposed in the computational programme.\n\n- Start-up or spin-off companies in the emerging area of biohydrogen production \n\n- Those in the alternative energy sector with interests in exploiting microbes or hydrogenase \n in biofuel cell designs \n\nThese beneficiaries will be alerted to our findings by their timely presentation at conferences, in publications and through press-releases timed to coincide with the publication of our research in leading journals. They will also gain from access to the computational and biological resources generated during the project. We anticipate that this impact will begin to be realised from month 18 of the proposed programme of research through the activities of all of the research team. To highlight our research and its potential impact to these groups we will invite representatives to a \nworkshop on this topic in the second half of the grant period. This conference will bring together eminent \nspeakers from academia and industry selected for their leading, international reputation in the area.\n\nThe work proposed will also shape the personal development of the two PDRAs. They will gain skills in \nadvancing computational methods and electronic structure theory under the guidance of the PIs. In addition, \nthe synergistic nature of the research programme and regular meetings of the research team will ensure that the PDRAs gain an understanding of the complementary approaches being used. This together with the multi-site nature of the project will ensure the PDRAs improve their skills in working collaboratively, and communicating effectively within and across sites. They will gain experience of project management under the guidance of the PIs who will also mentor their skills in oral, written and web-based communication of their findings. These impacts will begin at the outset of the project and continue to its completion.\n\n\n"], "status": ["", "Closed"]}
April 11, 2022, 1:47 a.m. Added 35 {"external_links": [4039]}
April 11, 2022, 1:47 a.m. Created 35 [{"model": "core.project", "pk": 1180, "fields": {"owner": null, "is_locked": false, "coped_id": "0eedaeb5-fc80-4532-a16f-b581e28e62b3", "title": "", "description": "", "extra_text": "", "status": "", "start": null, "end": null, "raw_data": 4572, "created": "2022-04-11T01:31:10.111Z", "modified": "2022-04-11T01:31:10.111Z", "external_links": []}}]