المؤلفون: Wildman, Jack

مرشدي الرسالة: Galbraith, Ian

الوصف: In this thesis, we present a study of conformational disorder in conjugated molecules focussed primarily on molecular dynamics (MD) simulation methods. Along with quantum chemical approaches, we develop and utilise MD simulation methods to study the conformational dynamics of polyfluorenes and polythiophenes and the role of conformational disorder on the optical absorption behaviour observed in these molecules. We first report a classical force-field parameterisation scheme for conjugated molecules which defines a density functional theory method of accuracy comparable to high-order ab-initio calculations. In doing so, we illustrate the role of increasing conjugated backbone and alkyl side-chain length on inter-monomer dihedral angle potentials and atomic partial charge distributions. The scheme we develop forms a minimal route to conjugated force-field parameterisation without substantial loss of accuracy. We then present a validation of our force-field parameterisation scheme based on self-consistent measures, such as dihedral angle distributions, and experimental measures, such as persistence lengths, obtained from MD simulations. We have subsequently utilised MD simulations to investigate the interplay of solvent and increasing side-chain lengths, the emergence of conjugation breaks, and the wormlike chain nature of conjugated oligomers. By utilising MD simulation geometries as input for quantum chemical calculations, we have investigated the role of conformational disorder on absorption spectral broadening and the formation of localised excitations. We conclude that conformational broadening is effectively independent of backbone length due to a reduction in the effect of individual dihedral angles with increasing length and also show that excitation localisation occurs as a result of large dihedral angles and molecular asymmetry.

الإتاحة: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.739342Test

المؤلفون: Loan, J M, Bacon, Andrew, van Beijnum, Janneke, Bhatt, Pragnesh, Broomes, Nicole, Bullen, Alistair, Bulters, Diederik O, Cahill, J, Chavredakis, Emmanuel, Colombo, Francesca, Danicut, Mihai, Digpal, Ronneil, Edwards, Richard J, Ferguson, Lucie, Forsyth, Laura, Fouyas, Ioannis, Ganesan, Vijeya, Grover, Patrick, Gurusinghe, Nihal, Hall, Peter S, Harkness, Kirsty, Harris, Lauren S, Hayton, Tom, Helmy, Adel, Holsgrove, Daniel, Hutchinson, Peter J, Israni, Anil, Kinsella, Elaine, Lewis, Steff, Majeed, Sohail, Mallucci, Conor, Mukerji, Nitin, Nair, Ramesh, Neilson , Aileen R, Papadopoulos, Marios C, Radatz, Matthias, Rossdeutsch, Alex, Raza-Knight, Saba, Stephen, Jaqueline, Stoddart, Andrew, Teo, Mario, Turner, Carole, Wade, Julia, Walsh, Daniel, White, David, White, Phil, Wildman, Jack, Wroe Wright, Oliver, Uff, Christopher, Ushewokunze, Shungu, Vindlacheruvu, Raghu, Kitchen, Neil, Salman, Rustam A

المصدر: Loan , J M , Bacon , A , van Beijnum , J , Bhatt , P , Broomes , N , Bullen , A , Bulters , D O , Cahill , J , Chavredakis , E , Colombo , F , Danicut , M , Digpal , R , Edwards , R J , Ferguson , L , Forsyth , L , Fouyas , I , Ganesan , V , Grover , P , Gurusinghe , N , Hall , P S , Harkness , K , Harris , L S , Hayton , T , Helmy ....

مصطلحات موضوعية: adult neurology, clinical trial, neurosurgery, paediatric neurology, stroke

الوصف: Introduction: The top research priority for cavernoma, identified by a James Lind Alliance Priority setting partnership was 'Does treatment (with neurosurgery or stereotactic radiosurgery) or no treatment improve outcome for people diagnosed with a cavernoma?' This pilot randomised controlled trial (RCT) aims to determine the feasibility of answering this question in a main phase RCT. Methods and analysis: We will perform a pilot phase, parallel group, pragmatic RCT involving approximately 60 children or adults with mental capacity, resident in the UK or Ireland, with an unresected symptomatic brain cavernoma. Participants will be randomised by web-based randomisation 1:1 to treatment with medical management and with surgery (neurosurgery or stereotactic radiosurgery) versus medical management alone, stratified by prerandomisation preference for type of surgery. In addition to 13 feasibility outcomes, the primary clinical outcome is symptomatic intracranial haemorrhage or new persistent/progressive focal neurological deficit measured at 6 monthly intervals. An integrated QuinteT Recruitment Intervention (QRI) evaluates screening logs, audio recordings of recruitment discussions, and interviews with recruiters and patients/parents/carers to identify and address barriers to participation. A Patient Advisory Group has codesigned the study and will oversee its progress. Ethics and dissemination: This study was approved by the Yorkshire and The Humber-Leeds East Research Ethics Committee (21/YH/0046). We will submit manuscripts to peer-reviewed journals, describing the findings of the QRI and the Cavernomas: A Randomised Evaluation (CARE) pilot trial. We will present at national specialty meetings. We will disseminate a plain English summary of the findings of the CARE pilot trial to participants and public audiences with input from, and acknowledgement of, the Patient Advisory Group.

العلاقة: https://research-information.bris.ac.uk/en/publications/7c5905ed-b868-4675-8fd9-aa026be11913Test

الإتاحة: https://doi.org/10.1136/bmjopen-2023-075187Test
https://hdl.handle.net/1983/7c5905ed-b868-4675-8fd9-aa026be11913Test
https://research-information.bris.ac.uk/en/publications/7c5905ed-b868-4675-8fd9-aa026be11913Test

المؤلفون: Jamjoom, Aimun A. B., Sluijters, Olivier J. J., Yeung, Thomas C. H., Wildman, Jack, Malcolm, George P., Charalambides, Constantinos, Iyer, Venkat, Barua, Neil U.

المصدر: Neurosurgical Focus; Dec2023, Vol. 55 Issue 6, p1-10, 10p

المؤلفون: Wildman, Jack, Baker, Mark R, Price, D Ashley, Tiwari, Sarbesh, Kumar, Hrishikesh, Rice, Gillian I, Crow, Yanick J, Thomas, Rhys H

المصدر: Wildman , J , Baker , M R , Price , D A , Tiwari , S , Kumar , H , Rice , G I , Crow , Y J & Thomas , R H 2020 , ' Clinical Reasoning : A 25-year-old woman with recurrent episodes of collapse and loss of consciousness ' , Neurology . https://doi.org/10.1212/WNL.0000000000009533Test

الإتاحة: https://doi.org/10.1212/WNL.0000000000009533Test
https://research.manchester.ac.uk/en/publications/0ac141a3-6f90-416f-92e1-081c02a4cf7eTest

المؤلفون: Giannakaki, Venetia, Wildman, Jack, Thejasvin, K, Pexas, Georgios, Nissen, Justin, Ross, Nicholas, Mitchell, Patrick

المصدر: World Neurosurg ; ISSN:1878-8769 ; Volume:170

مصطلحات موضوعية: Chiari malformation, Complications, Duraplasty, Foramen magnum decompression, Syringomyelia

الوصف: Foramen magnum decompression is a common operation used to treat Chiari malformation. There are different surgical techniques; however, some are anecdotally more effective than others. Our aim was to determine whether there is a superior technique in relation to revision rates, presence of persistent postoperative headache and nausea, and syrinx reduction.

العلاقة: https://doi.org/10.1016/j.wneu.2022.11.119Test; https://pubmed.ncbi.nlm.nih.gov/36455845Test

الإتاحة: https://doi.org/10.1016/j.wneu.2022.11.119Test
https://pubmed.ncbi.nlm.nih.gov/36455845Test

المؤلفون: Loan, James JM, Bacon, Andrew, van Beijnum, Janneke, Bhatt, Pragnesh, Bjornson, Anna, Broomes, Nicole, Bullen, Alistair, Bulters, Diederik, Cahill, Julian, Chavredakis, Emmanuel, Colombo, Francesca, Danciut, Mihai, Digpal, Ronneil, Edwards, Richard J, Ferguson, Lucie, Forsyth, Laura, Fouyas, Ioannis, Ganesan, Vijeya, Grover, Patrick, Gurusinghe, Nihal, Hall, Peter S, Harkness, Kirsty, Harris, Lauren S, Hayton, Tom, Helmy, Adel, Holsgrove, Daniel, Hutchinson, Peter J, Israni, Anil, Kinsella, Elaine, Lewis, Steff, Majeed, Sohail, Mallucci, Conor, Mukerji, Nitin, Nair, Ramesh, Neilson, Aileen R, Papadopoulos, Marios C, Radatz, Matthias, Rossdeutsch, Alex, Raza-Knight, Saba, Stephen, Jacqueline, Stoddart, Andrew, Teo, Mario, Turner, Carole, Wade, Julia, Walsh, Daniel, White, David, White, Phil, Wildman, Jack, Wroe Wright, Oliver, Uff, Christopher, Ushewokunze, Shungu, Vindlacheruvu, Raghu, Kitchen, Neil, Al-Shahi Salman, Rustam, Cavernomas A Randomised Effectiveness (CARE) pilot trial collaborators

مصطلحات موضوعية: Adult neurology, Clinical Trial, NEUROSURGERY, Paediatric neurology, Stroke, Adult, Child, Humans, Radiosurgery, Feasibility Studies, Pilot Projects, Brain, Randomized Controlled Trials as Topic

الوصف: Peer reviewed: True ; Acknowledgements: We thank all members of the Patient, carer and public Advisory Group (PAG) for contributing to the development, design and delivery of this study. ; INTRODUCTION: The top research priority for cavernoma, identified by a James Lind Alliance Priority setting partnership was 'Does treatment (with neurosurgery or stereotactic radiosurgery) or no treatment improve outcome for people diagnosed with a cavernoma?' This pilot randomised controlled trial (RCT) aims to determine the feasibility of answering this question in a main phase RCT. METHODS AND ANALYSIS: We will perform a pilot phase, parallel group, pragmatic RCT involving approximately 60 children or adults with mental capacity, resident in the UK or Ireland, with an unresected symptomatic brain cavernoma. Participants will be randomised by web-based randomisation 1:1 to treatment with medical management and with surgery (neurosurgery or stereotactic radiosurgery) versus medical management alone, stratified by prerandomisation preference for type of surgery. In addition to 13 feasibility outcomes, the primary clinical outcome is symptomatic intracranial haemorrhage or new persistent/progressive focal neurological deficit measured at 6 monthly intervals. An integrated QuinteT Recruitment Intervention (QRI) evaluates screening logs, audio recordings of recruitment discussions, and interviews with recruiters and patients/parents/carers to identify and address barriers to participation. A Patient Advisory Group has codesigned the study and will oversee its progress. ETHICS AND DISSEMINATION: This study was approved by the Yorkshire and The Humber-Leeds East Research Ethics Committee (21/YH/0046). We will submit manuscripts to peer-reviewed journals, describing the findings of the QRI and the Cavernomas: A Randomised Evaluation (CARE) pilot trial. We will present at national specialty meetings. We will disseminate a plain English summary of the findings of the CARE pilot trial to participants and public audiences with input ...

وصف الملف: application/pdf; text/xml

العلاقة: https://www.repository.cam.ac.uk/handle/1810/355563Test

الإتاحة: https://www.repository.cam.ac.uk/handle/1810/355563Test

المؤلفون: Wildman, Jack, Repiščák, Peter, Paterson, Martin J., Galbraith, Ian

المساهمون: Engineering and Physical Sciences Research Council, European Research Council

المصدر: Journal of Chemical Theory and Computation ; volume 12, issue 8, page 3813-3824 ; ISSN 1549-9618 1549-9626

الإتاحة: https://doi.org/10.1021/acs.jctc.5b01195Test

المؤلفون: Prentice, Andrew W., Wildman, Jack, Galbraith, Ian, Paterson, Martin J.

المساهمون: Engineering and Physical Sciences Research Council

المصدر: The Journal of Physical Chemistry A ; volume 124, issue 51, page 10667-10677 ; ISSN 1089-5639 1520-5215

مصطلحات موضوعية: Physical and Theoretical Chemistry

الإتاحة: https://doi.org/10.1021/acs.jpca.0c07213Test

المؤلفون: Wildman, Jack, Baker, Mark R, Price, D Ashley, Tiwari, Sarbesh, Kumar, Hrishikesh, Rice, Gillian I, Crow, Yanick, Thomas, Rhys H

المصدر: Wildman, J, Baker, M R, Price, D A, Tiwari, S, Kumar, H, Rice, G I, Crow, Y & Thomas, R H 2020, ' A 25-year old woman with recurrent episodes of collapse and loss of consciousness ', Neurology . https://doi.org/10.1212/WNL.0000000000009533Test

وصف الملف: application/vnd.openxmlformats-officedocument.wordprocessingml.document

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=od______3094::b4ef969ce530571aed9a392cc08077c7Test
https://www.pure.ed.ac.uk/ws/files/122460301/Wildman_v4_clean.docxTest

المؤلفون: Wildman, Jack, Ng, Wan-Fai

المصدر: Rheumatology ; volume 58, issue Supplement_3 ; ISSN 1462-0324 1462-0332

مصطلحات موضوعية: Pharmacology (medical), Rheumatology

الإتاحة: https://doi.org/10.1093/rheumatology/kez110.080Test
http://academic.oup.com/rheumatology/article-pdf/58/Supplement_3/kez110.080/28712176/kez110.080.pdfTest