Outputs (148)

Designing stable binary endohedral fullerene lattices (2022)
Journal Article
Miller, A., Halstead, M., Besley, E., & Stace, A. J. (2022). Designing stable binary endohedral fullerene lattices. Physical Chemistry Chemical Physics, 24(17), 10044-10052. https://doi.org/10.1039/d2cp00196a

Nanoparticle lattices and endohedral fullerenes have both been identified as potential building blocks for future electronic, magnetic and optical devices; here it is proposed that it could be possible to combine those concepts and design stable nano... Read More about Designing stable binary endohedral fullerene lattices.

Synthesis, characterisation and evaluation of hyperbranched N-(2-hydroxypropyl) methacrylamides for transport and delivery in pancreatic cell lines in vitro and in vivo (2022)
Journal Article
Anane-Adjei, A. B., Fletcher, N. L., Cavanagh, R. J., Houston, Z. H., Crawford, T., Pearce, A. K., Taresco, V., Ritchie, A. A., Clarke, P. A., Grabowska, A. M., Gellert, P. R., Ashford, M. B., Kellam, B., Thurecht, K. J., & Alexander, C. (2022). Synthesis, characterisation and evaluation of hyperbranched N-(2-hydroxypropyl) methacrylamides for transport and delivery in pancreatic cell lines in vitro and in vivo. Biomaterials Science, 10(9), 2328-2344. https://doi.org/10.1039/d1bm01548f

Hyperbranched polymers have many promising features for drug delivery, owing to their ease of synthesis, multiple functional group content, and potential for high drug loading with retention of solubility. Here we prepared hyperbranched N-(2-hydroxyp... Read More about Synthesis, characterisation and evaluation of hyperbranched N-(2-hydroxypropyl) methacrylamides for transport and delivery in pancreatic cell lines in vitro and in vivo.

Exploiting the tuneable density of scCO2 to improve particle size control for dispersion polymerisations in the presence of poly(dimethyl siloxane) stabilisers (2022)
Journal Article
Kortsen, K., Fowler, H. R., Jacob, P. L., Krumins, E., Lentz, J. C., Souhil, M. R., Taresco, V., & Howdle, S. M. (2022). Exploiting the tuneable density of scCO2 to improve particle size control for dispersion polymerisations in the presence of poly(dimethyl siloxane) stabilisers. European Polymer Journal, 168, Article 111108. https://doi.org/10.1016/j.eurpolymj.2022.111108

The dispersion polymerisation of methyl methacrylate (MMA) is a widely employed method for producing discrete, spherical PMMA particles from traditional solvents, which cover a broad particle size range. With environmental impact becoming an ever mor... Read More about Exploiting the tuneable density of scCO2 to improve particle size control for dispersion polymerisations in the presence of poly(dimethyl siloxane) stabilisers.

Extending conceptual DFT to include external variables: the influence of magnetic fields (2022)
Journal Article
Francotte, R., Irons, T. J. P., Teale, A. M., de Proft, F., & Geerlings, P. (2022). Extending conceptual DFT to include external variables: the influence of magnetic fields. Chemical Science, 13(18), 5311-5324. https://doi.org/10.1039/d1sc07263c

An extension of conceptual DFT to include the influence of an external magnetic field is proposed in the context of a program set up to cope with the ever increasing variability of reaction conditions and concomitant reactivity. The two simplest glob... Read More about Extending conceptual DFT to include external variables: the influence of magnetic fields.

Software tools for green and sustainable chemistry (2022)
Journal Article
Derbenev, I. N., Twycross, J., Dowden, J., & Hirst, J. D. (2022). Software tools for green and sustainable chemistry. Current Opinion in Green and Sustainable Chemistry, 35, Article 100623. https://doi.org/10.1016/j.cogsc.2022.100623

In this review, we consider green chemistry metrics, related software tools, and the opportunities and challenges for their use in research laboratories. We provide an overview of state-of-the-art software designed both to aid researchers in planning... Read More about Software tools for green and sustainable chemistry.

The Conceptual Development of a Conjunctive Olefination (2022)
Journal Article
Filippini, D., & Silvi, M. (2022). The Conceptual Development of a Conjunctive Olefination. SYNLETT, https://doi.org/10.1055/a-1787-1159

We recently discovered a functional group tolerant and transition-metal-free conjunctive olefination reaction with applications in late-stage functionalization chemistry. In this Synpacts contribution, we analyze the conceptual background that has st... Read More about The Conceptual Development of a Conjunctive Olefination.

Nucleophilic Fluorination Catalyzed by a Cyclometallated Rhodium Complex (2022)
Journal Article
Morgan, P. J., Saunders, G. C., Macgregor, S. A., Marr, A. C., & Licence, P. (2022). Nucleophilic Fluorination Catalyzed by a Cyclometallated Rhodium Complex. Organometallics, 41(7), 883–891. https://doi.org/10.1021/acs.organomet.2c00052

Quantitative catalytic nucleophilic fluorination of a range of acyl chlorides to acyl fluorides was promoted by a cyclometallated rhodium complex [(η5,κ2C-C5Me4CH2C6F5CH2NC3H2NMe)- RhCl] (1). 1 can be prepared in high yields from commercially availab... Read More about Nucleophilic Fluorination Catalyzed by a Cyclometallated Rhodium Complex.

Confirmation of pore formation mechanisms in biochars and activated carbons by dual isotherm analysis (2022)
Journal Article
Blankenship, L. S., Jagiello, J., & Mokaya, R. (2022). Confirmation of pore formation mechanisms in biochars and activated carbons by dual isotherm analysis. Materials Advances, https://doi.org/10.1039/d2ma00141a

In this study biochars and activated carbons were synthesized either directly via the pyrolysis of sodium carboxymethyl cellulose (NC) or via hydrothermal carbonization of sawdust (SD) in an aqueous solution of KOH. The amount of porogen was varied b... Read More about Confirmation of pore formation mechanisms in biochars and activated carbons by dual isotherm analysis.

Computational investigation of aphid odorant receptor structure and binding function (2022)
Journal Article
Sims, C., Withall, D. M., Oldham, N., Stockman, R., & Birkett, M. (2023). Computational investigation of aphid odorant receptor structure and binding function. Journal of Biomolecular Structure and Dynamics, 41(8), 3647-3658. https://doi.org/10.1080/07391102.2022.2053743

Odorant receptors (OR) play a critical role in signal transduction and olfactory recognition in insects. Unfortunately, insect ORs are difficult to express and purify, and limited structural data are available. Computational methods were used to pred... Read More about Computational investigation of aphid odorant receptor structure and binding function.

Frontispiece: Nickel‐Catalyzed Arylative Cyclizations of Alkyne‐ and Allene‐Tethered Electrophiles using Arylboron Reagents (2022)
Journal Article
Gillbard, S. M., & Lam, H. W. (2022). Frontispiece: Nickel‐Catalyzed Arylative Cyclizations of Alkyne‐ and Allene‐Tethered Electrophiles using Arylboron Reagents. Chemistry - A European Journal, 28(18), Article e202281862. https://doi.org/10.1002/chem.202281862

This review summarizes recent progress in nickel-catalyzed arylative cyclizations of alkyne- and allene-tethered electrophiles using arylboron reagents, which are useful methods for the preparation of diverse carbo- and heterocyclic products. In many... Read More about Frontispiece: Nickel‐Catalyzed Arylative Cyclizations of Alkyne‐ and Allene‐Tethered Electrophiles using Arylboron Reagents.