Search Results - "Hose, R."

Machine learning with physicochemical relationships: solubility prediction in organic solvents and water by Boobier, Samuel, Hose, David R. J., Blacker, A. John, Nguyen, Bao N.

“…Solubility prediction remains a critical challenge in drug development, synthetic route and chemical process design, extraction and crystallisation. Here we…”
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Toward a More Holistic Framework for Solvent Selection by Diorazio, Louis J, Hose, David R. J, Adlington, Neil K

“…An interactive tool has been developed to facilitate solvent selection, allowing consideration of chemical functionality, physical properties, regulatory…”
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Predicting Solvent-Dependent Nucleophilicity Parameter with a Causal Structure Property Relationship by Boobier, Samuel, Liu, Yufeng, Sharma, Krishna, Hose, David R. J, Blacker, A. John, Kapur, Nikil, Nguyen, Bao N

“…Solvent-dependent reactivity is a key aspect of synthetic science, which controls reaction selectivity. The contemporary focus on new, sustainable solvents…”
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Estimation of valvular resistance of segmented aortic valves using computational fluid dynamics by Hoeijmakers, M.J.M.M., Silva Soto, D.A., Waechter-Stehle, I., Kasztelnik, M., Weese, J., Hose, D.R., de Vosse, F.N. van

“…Aortic valve stenosis is associated with an elevated left ventricular pressure and transaortic pressure drop. Clinicians routinely use Doppler ultrasound to…”
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Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP) by Jover, Jesús, Fey, Natalie, Harvey, Jeremy N, Lloyd-Jones, Guy C, Orpen, A. Guy, Owen-Smith, Gareth J. J, Murray, Paul, Hose, David R. J, Osborne, Robert, Purdie, Mark

“…We have expanded the ligand knowledge base for bidentate P,P- and P,N-donor ligands (LKB-PP, Organometallics 2008, 27, 1372–1383 ) by 208 ligands and…”
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Expansion of the Ligand Knowledge Base for Monodentate P-Donor Ligands (LKB-P) by Jover, Jesús, Fey, Natalie, Harvey, Jeremy N, Lloyd-Jones, Guy C, Orpen, A. Guy, Owen-Smith, Gareth J. J, Murray, Paul, Hose, David R. J, Osborne, Robert, Purdie, Mark

“…We have expanded the ligand knowledge base for monodentate P-donor ligands (LKB-P, Chem. Eur. J. 2006, 12, 291−302) by 287 ligands and added descriptors…”
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Closing the loop: modelling of heart failure progression from health to end-stage using a meta-analysis of left ventricular pressure-volume loops by Warriner, David R, Brown, Alistair G, Varma, Susheel, Sheridan, Paul J, Lawford, Patricia, Hose, David R, Al-Mohammad, Abdallah, Shi, Yubing

“…The American Heart Association (AHA)/American College of Cardiology (ACC) guidelines for the classification of heart failure (HF) are descriptive but lack…”
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An orifice shape-based reduced order model of patient-specific mitral valve regurgitation by Franz, J., Czechowicz, K., Waechter-Stehle, I., Hellmeier, F., Razafindrazaka, F., Kelm, M., Kempfert, J., Meyer, A., Archer, G., Weese, J., Hose, R., Kuehne, T., Goubergrits, L.

“…Mitral valve regurgitation (MR) is one of the most prevalent valvular heart diseases. Its quantitative assessment is challenging but crucial for treatment…”
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MRI model-based non-invasive differential diagnosis in pulmonary hypertension by Lungu, A, Wild, J.M, Capener, D, Kiely, D.G, Swift, A.J, Hose, D.R

“…Abstract Pulmonary hypertension(PH) is a disorder characterised by increased mean pulmonary arterial pressure. Currently, the diagnosis of PH relies upon…”
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Generating anatomical models of the heart and the aorta from medical images for personalized physiological simulations by Weese, J., Groth, A., Nickisch, H., Barschdorf, H., Weber, F. M., Velut, J., Castro, M., Toumoulin, C., Coatrieux, J. L., De Craene, M., Piella, G., Tobón-Gomez, C., Frangi, A. F., Barber, D. C., Valverde, I., Shi, Y., Staicu, C., Brown, A., Beerbaum, P., Hose, D. R.

“…The anatomy and motion of the heart and the aorta are essential for patient-specific simulations of cardiac electrophysiology, wall mechanics and hemodynamics…”
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Computer modelling study of the mechanism of optic nerve injury in blunt trauma by Cirovic, S, Bhola, R M, Hose, D R, Howard, I C, Lawford, P V, Marr, J E, Parsons, M A

“…Aim: The potential causes of the optic nerve injury as a result of blunt object trauma, were investigated using a computer model. Methods: A finite element…”
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Efficient computational fluid dynamics mesh generation by image registration by Barber, D.C., Oubel, E., Frangi, A.F., Hose, D.R.

“…Most implementations of computational fluid dynamics (CFD) solutions require a discretisation or meshing of the solution domain. The production from a medical…”
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Systematic review and meta-analysis of Murray's law in the coronary arterial circulation by Taylor, Daniel J, Saxton, Harry, Halliday, Ian, Newman, Tom, Hose, D R, Kassab, Ghassan S, Gunn, Julian P, Morris, Paul D

“…Murray's law has been viewed as a fundamental law of physiology. Relating blood flow ([Formula: see text]) to vessel diameter ( ) ([Formula: see text]·∝· ), it…”
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Parameter estimation for closed-loop lumped parameter models of the systemic circulation using synthetic data by Bjørdalsbakke, Nikolai L., Sturdy, Jacob T., Hose, David R., Hellevik, Leif R.

“…Physics-based models can be applied to describe mechanisms in both health and disease, which has the potential to accelerate the development of personalized…”
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Determining Phase Separation Dynamics with an Automated Image Processing Algorithm by Daglish, James, Blacker, A. John, de Boer, Gregory, Crampton, Alex, Hose, David R. J., Parsons, Anna R., Kapur, Nikil

“…The problems of extracting products efficiently from reaction workups are often overlooked. Issues such as emulsions and rag layer formation can cause long…”
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The epitheliome: agent-based modelling of the social behaviour of cells by Walker, D.C., Southgate, J., Hill, G., Holcombe, M., Hose, D.R., Wood, S.M., Mac Neil, S., Smallwood, R.H.

“…We have developed a new computational modelling paradigm for predicting the emergent behaviour resulting from the interaction of cells in epithelial tissue. As…”
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Multi-scale interaction of particulate flow and the artery wall by Halliday, I, Atherton, M, Care, C.M, Collins, M.W, Evans, D, Evans, P.C, Hose, D.R, Khir, A.W, König, C.S, Krams, R, Lawford, P.V, Lishchuk, S.V, Pontrelli, G, Ridger, V, Spencer, T.J, Ventikos, Y, Walker, D.C, Watton, P.N

“…Abstract We discuss, from the perspective of basic science, the physical and biological processes which underlie atherosclerotic (plaque) initiation at the…”
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Redesign of the Synthesis and Manufacture of an Azetidine-Bearing Pyrazine by Hose, David R. J, Hopes, Phillip, Steven, Alan, Herber, Christian

“…Commercial route definition for a glucokinase activator called for a re-evaluation of the synthesis and processes used to access multikilogram quantities of a…”
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A Coalescing Filter for Liquid–Liquid Separation and Multistage Extraction in Continuous-Flow Chemistry by Daglish, James, Blacker, A. John, de Boer, Gregory, Russell, Stephen J., Tausif, Muhammad, Hose, David R. J., Parsons, Anna R., Crampton, Alex, Kapur, Nikil

“…Presented here is the design and performance of a coalescing liquid–liquid filter, based on low-cost and readily available meltblown nonwoven substrates for…”
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Modelled impact of virtual fractional flow reserve in patients undergoing coronary angiography (VIRTU-4) by Ghobrial, Mina, Haley, Hazel, Gosling, Rebecca, Taylor, Daniel James, Richardson, James, Morgan, Kenneth, Barmby, David, Iqbal, Javaid, Krishnamurthy, Arvindra, Singh, Rajender, Conway, Dwayne, Hall, Ian, Adam, Zulfiquar, Wheeldon, Nigel, Grech, Ever D, Storey, Robert F, Rothman, Alexander, Payne, Gillian, Tahir, Muhammad Naeem, Smith, Simon, Cooke, Justin, Hunter, Steven, Cartwright, Neil, Sadeque, Syed, Briffa, Norman Paul, Al-Mohammad, Abdallah, O'Toole, Laurence, Rogers, Dominic, Lawford, Patricia V, Hose, David R, Gunn, Julian, Morris, Paul D

“…The practical application of 'virtual' (computed) fractional flow reserve (vFFR) based on invasive coronary angiogram (ICA) images is unknown. The objective of…”
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