Browsing Research publications by Author "Kirton, Stewart B."
Now showing items 1-10 of 10
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Elemental fingerprinting of Hypericum perforatum (St John's Wort) herb and preparations using ICP-OES and chemometrics
Owen, Jade D.; Kirton, Stewart B.; Evans, Sara J.; Stair, Jacqueline L. (2016-06-05)St. John's wort (SJW) (Hypericum perforatum) is a herbal remedy commonly used to treat mild depression. The elemental profiles of 54 samples (i.e., dry herbs, tablets and capsules) were evaluated by monitoring 25 elements ... -
The influence of oily vehicle composition and vehicle-membrane interactions on the diffusion of model permeants across barrier membranes
Najib, Omaima N.; Martin, Gary P.; Kirton, Stewart B.; Botha, Michelle J.; Sallam, Al Sayed; Murnane, Darragh (2021-01-14)In many instances, one or more components of a pharmaceutical or cosmetic formulation is an oil. The aims of this study were two-fold. First, to examine the potential of preferential uptake of one oily vehicle component ... -
Multivariate analytical approaches to identify key molecular properties of vehicles, permeants and membranes that affect permeation through membranes
Najib, Omaima N.; Kirton, Stewart B.; Martin, Gary P.; Botha, Michelle J.; Sallam, Al Sayed; Murnane, Darragh (2020-10-31)There has been considerable recent interest in employing computer models to investigate the relationship between the structure of a molecule and its dermal penetration. Molecular permeation across the epidermis has previously ... -
De novo ligand design to partially flexible active sites : Application of the Reflex algorithm to carboxypeptidase A, acetylcholinesterase, and the estrogen receptor
Firth-Clark, Stuart; Kirton, Stewart B.; Willems, Henrite M. G.; Williams, Anthony (2008-02)Reflex is a recent algorithm in the de novo ligand design software, SkelGen, that allows the flexibility of amino acid side chains in a protein to be taken into account during the drug-design process. In this paper the ... -
Polymer Architecture Effects on Poly(N,N‐Diethyl Acrylamide)‐b‐Poly(Ethylene Glycol)‐b‐Poly(N,N‐Diethyl Acrylamide) Thermoreversible Gels and Their Evaluation as a Healthcare Material
Haddow, Peter J.; da Silva, Marcelo A.; Kaldybekov, Daulet B.; Dreiss, Cecile A.; Hoffman, Ewelina; Hutter, Victoria; Khutoryanskiy, Vitaliy V.; Kirton, Stewart B.; Mahmoudi, Najet; McAuley, William J.; Cook, Michael T. (2021-12-11)Thermoreversible gels which transition between liquid‐like and solid‐like states when warmed have enabled significant novel healthcare technologies. Poly(N,N‐diethyl acrylamide) (PDEA) is a thermoresponsive polymer which ... -
Predicting the Fine Particle Fraction of Dry Powder Inhalers Using Artificial Neural Networks
Muddle, Joanna; Kirton, Stewart B.; Parisini, Irene; Muddle, Andrew; Murnane, Darragh; Ali, Jogoth; Brown, Marc; Page, Clive; Forbes, Ben (2017-01-01)Dry powder inhalers are increasingly popular for delivering drugs to the lungs for the treatment of respiratory diseases, but are complex products with multivariate performance determinants. Heuristic product development ... -
Revisiting the General Solubility Equation : In Silico Prediction of Aqueous Solubility Incorporating the Effect of Topographical Polar Surface Area
Ali, Jogoth; Camilleri, Patrick; Brown, Marc; Hutt, Andrew J.; Kirton, Stewart B. (2012-02)The General Solubility Equation (GSE) is a QSPR model based on the melting point and log P of a chemical substance. It is used to predict the aqueous solubility of nonionizable chemical compounds. However, its reliance on ... -
SkelGen : a general tool for structure-based de novo ligand design
Dean, Philip M.; Firth-Clark, Stuart; Harris, William; Kirton, Stewart B.; Todorov, Nikolay P. (2006-07)The recent lapse in productivity in the pharmaceutical industry has facilitated the emergence of experimental and in silico structure-based design methodologies, based on identification of biologically active low molecular ... -
Small molecule recognition of mephedrone using an anthracene molecular clip
Kellett, Kathryn; Broome, J. Hugh; Zloh, Mire; Kirton, Stewart B.; Fergus, Suzanne; Gerhard, Ute; Stair, Jacqueline L.; Wallace, Karl J. (2016-05-16)An anthracene molecular probe has been synthesised and shown to target mephedrone, a stimulant drug from the cathinone class of new psychoactive substances (NPS). A protocol has been developed to detect mephedrone via the ... -
Thermoresponsive Triblock‐Copolymers of Polyethylene Oxide and Polymethacrylates: Linking Chemistry, Nanoscale Morphology, and Rheological Properties
da Silva, Marcelo Alves; Haddow, Peter; Kirton, Stewart B.; McAuley, William J.; Porcar, Lionel; Dreiss, Cécile A.; Cook, Michael T. (2022-02-23)Abstract: Thermoreversible gels switch from a free‐flowing liquid state to an elastic gel mesophase upon warming, displaying the reverse transition upon cooling. While this phenomenon makes these advanced materials highly ...