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oapen-20.500.12657-323382021-11-12T16:23:07Z Chapter 8 Computational Modelling of the Steps Involved in Photodynamic Therapy Paterson, Martin J. Bergendahl, L. Therese computational modelling photodynamic therapy computational modelling photodynamic therapy Electron Excited state Ground state Molecule Multi-configurational self-consistent field Pacific Time Zone Photosensitizer Porphyrin Wave function bic Book Industry Communication::P Mathematics & science::PD Science: general issues Photodynamic therapy (PDT) is a branch of phototherapy that has seen a surge of interest in the last few decades, due to its potential in the treatment of various cancers, infections and heart disease.(Bonnett, 2000) This chapter aims to give an overview of the various photochemical steps involved in PDT as a cancer therapy, and in particular the challenges and insight gained from their theoretical description. After a brief review of PDT in general, in a biological and chemical context, the photochemical steps involved will be discussed, detailing the computational techniques required to model these chemical pathways theoretically. We will detail the methodologies that can currently be applied, as well as their limitations of use at present, and areas requiring further development. 2019-10-04 14:33:32 2020-04-01T14:06:53Z 2016-08-01 23:55 2019-10-04 14:33:32 2020-04-01T14:06:53Z 2016-12-31 23:55:55 2019-10-04 14:33:32 2020-04-01T14:06:53Z 2020-04-01T14:06:53Z 2012 chapter 612605 OCN: 1030819927 http://library.oapen.org/handle/20.500.12657/32338 eng application/pdf n/a 612605.pdf InTechOpen Molecular Photochemistry - Various Aspects 10.5772/37654 10.5772/37654 09f6769d-48ed-467d-b150-4cf2680656a1 16367fa7-4790-4d3f-9366-c00a68396f89 7292b17b-f01a-4016-94d3-d7fb5ef9fb79 European Research Council (ERC) 1 258990 FP7 FP7 Ideas: European Research Council FP7-IDEAS-ERC - Specific Programme: "Ideas" Implementing the Seventh Framework Programme of the European Community for Research, Technological Development and Demonstration Activities (2007 to 2013) open access
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Photodynamic therapy (PDT) is a branch of phototherapy that has seen a surge of interest in the last few decades, due to its potential in the treatment of various cancers, infections and
heart disease.(Bonnett, 2000) This chapter aims to give an overview of the various
photochemical steps involved in PDT as a cancer therapy, and in particular the challenges
and insight gained from their theoretical description. After a brief review of PDT in general,
in a biological and chemical context, the photochemical steps involved will be discussed,
detailing the computational techniques required to model these chemical pathways
theoretically. We will detail the methodologies that can currently be applied, as well as their
limitations of use at present, and areas requiring further development.
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