Publications 2015

Publications - 2015

SSPC, the Science Foundation Ireland (SFI) Research Centre for Pharmaceuticals

  1. Adsmond, D. A., Sinha, A. S., Khandavilli, U. B. R., Maguire, A. R., & Lawrence, S. E. (2016). Design and Synthesis of Ternary Cocrystals Using Carboxyphenols and Two Complementary Acceptor Compounds. Crystal Growth & Design, 16(1), 59-69. doi:10.1021/acs.cgd.5b00957
  2. Albadarin, A. B., Yang, Z. Y., Mangwandi, C., Glocheux, Y., Walker, G., & Ahmad, M. N. M. (2014). Experimental design and batch experiments for optimization of Cr(VI) removal from aqueous solutions by hydrous cerium oxide nanoparticles. Chemical Engineering Research & Design, 92(7), 1354-1362. doi:10.1016/j.cherd.2013.10.015
  3. Amaro, M. I., Simon, A., Cabral, L. M., de Sousa, V. P., & Healy, A. M. (2015). Rivastigmine hydrogen tartrate polymorphs: Solid-state characterisation of transition and polymorphic conversion via milling. Solid State Sciences, 49, 29-36. doi:10.1016/j.solidstatesciences.2015.09.004
  4. Amaro, M. I., Tajber, L., Corrigan, O. I., & Healy, A. M. (2015). Co-Spray Dried Carbohydrate Microparticles: Crystallisation Delay/Inhibition and Improved Aerosolization Characteristics Through the Incorporation of Hydroxypropyl-beta-cyclodextrin with Amorphous Raffinose or Trehalose. Pharmaceutical Research, 32(1), 180-195. doi:10.1007/s11095-014-1454-8
  5. Amaro, M. I., Tewes, F., Gobbo, O., Tajber, L., Corrigan, O. I., Ehrhardt, C., & Healy, A. M. (2015). Formulation, stability and pharmacokinetics of sugar-based salmon calcitonin-loaded nanoporous/nanoparticulate microparticles (NPMPs) for inhalation. International Journal of Pharmaceutics, 483(1-2), 6-18. doi:10.1016/j.ijpharm.2015.02.003
  6. Bateman, L. M., McNamara, O. A., Buckley, N. R., O’Leary, P., Harrington, F., Kelly, N., . . . Maguire, A. R. (2015). A study of the norcaradiene-cycloheptatriene equilibrium in a series of azulenones by NMR spectroscopy; the impact of substitution on the position of equilibrium. Organic & Biomolecular Chemistry, 13(45), 11026-11038. doi:10.1039/c5ob01346a
  7. Baxendale, I. R., Braatz, R. D., Hodnett, B. K., Jensen, K. F., Johnson, M. D., Sharratt, P., . . . Florence, A. J. (2015). Achieving Continuous Manufacturing: Technologies and Approaches for Synthesis, Workup, and Isolation of Drug Substance May 20-21, 2014 Continuous Manufacturing Symposium. Journal of Pharmaceutical Sciences, 104(3), 781-791. doi:10.1002/jps.24252
  8. Byrne, P. A., Ortin, Y., & Gilheany, D. G. (2015). First ever observation of the intermediate of phosphonium salt and ylide hydrolysis: P-hydroxytetraorganophosphorane. Chemical Communications, 51(6), 1147-1150. doi:10.1039/c4cc08644a
  9. Cerioli, L., Planchestainer, M., Cassidy, J., Tessaro, D., & Paradisi, F. (2015). Characterization of a novel amine transaminase from Halomonas elongata. Journal of Molecular Catalysis B-Enzymatic, 120, 141-150. doi:10.1016/j.molcatb.2015.07.009
  10. Cesari, C., Mazzoni, R., Muller-Bunz, H., & Albrecht, M. (2015). Ruthenium(0) complexes with triazolylidene spectator ligands: Oxidative activation for (de)hydrogenation catalysis. Journal of Organometallic Chemistry, 793, 256-262. doi:10.1016/j.jorganchem.2015.02.022
  11. Cheuk, D., Khamar, D., McArdle, P., & Rasmuson, A. C. (2015). Solid Forms, Crystal Habits, and Solubility of Danthron. Journal of Chemical and Engineering Data, 60(7), 2110-2118. doi:10.1021/acs.jced.5b00192
  12. Cheuk, D., Svard, M., Seaton, C., McArdle, P., & Rasmuson, A. C. (2015). Investigation into solid and solution properties of quinizarin. Crystengcomm, 17(21), 3985-3997. doi:10.1039/c5ce00147a
  13. Clements, J., Walker, G., Pentlavalli, S., & Dunne, N. (2014). Optimisation of a two-liquid component pre-filled acrylic bone cement system: a design of experiments approach to optimise cement final properties. Journal of Materials Science-Materials in Medicine, 25(10), 2287-2296. doi:10.1007/s10856-014-5260-y
  14. Cogoni, G., de Souza, B. P., & Frawley, P. J. (2015). Particle Size Distribution and yield control in continuous Plug Flow Crystallizers with recycle. Chemical Engineering Science, 138, 592-599. doi:10.1016/j.ces.2015.08.041
  15. Croker, D. M., Kelly, D. M., Horgan, D. E., Hodnett, B. K., Lawrence, S. E., Moynihan, H. A., & Rasmuson, A. C. (2015). Demonstrating the Influence of Solvent Choice and Crystallization Conditions on Phenacetin Crystal Habit and Particle Size Distribution. Organic Process Research & Development, 19(12), 1826-1836. doi:10.1021/op500308x
  16. Crowley, M. E., & Crean, A. M. (2015). Quality by design in an evolving manufacturing sector. European Journal of Parenteral & Pharmaceutical Sciences,20(2)
  17. Cunningham, E., Dunne, N., Walker, G., & Buchanan, F. (2009). High-solid-content hydroxyapatite slurry for the production of bone substitute scaffolds. Proceedings of the Institution of Mechanical Engineers, Part H: Journal of Engineering in Medicine, 223(6), 727-737.
 
 
  1. Deadman, B. J., Collins, S. G., & Maguire, A. R. (2015). Taming Hazardous Chemistry in Flow: The Continuous Processing of Diazo and Diazonium Compounds. Chemistry-a European Journal, 21(6), 2298-2308. doi:10.1002/chem.201404348
  2. Douglas, P., Albadarin, A. B., Al-Muhtaseb, A. H., Mangwandi, C., & Walkera, G. M. (2015). Thermo-mechanical properties of poly epsilon-caprolactone/poly L-lactic acid blends: Addition of nalidixic acid and polyethylene glycol additives. Journal of the Mechanical Behavior of Biomedical Materials, 45, 154-165. doi:10.1016/j.jmbbm.2015.01.022
  3. Dul, M., Paluch, K. J., Kelly, H., Healy, A. M., Sasse, A., & Tajber, L. (2015). Self-assembled carrageenan/protamine polyelectrolyte nanoplexes-Investigation of critical parameters governing their formation and characteristics. Carbohydrate Polymers, 123, 339-349. doi:10.1016/j.carbpol.2015.01.066
  4. Eccles, K. S., Morrison, R. E., Sinha, A. S., Maguire, A. R., & Lawrence, S. E. (2015). Investigating C=S center dot center dot center dot I Halogen Bonding for Cocrystallization with Primary Thioamides. Crystal Growth & Design, 15(7), 3442-3451. doi:10.1021/acs.cgd.5b00513
  5. Egan, F., Reen, F. J., & O’Gara, F. (2015). Tle distribution and diversity in metagenomic datasets reveal niche specialization. Environmental Microbiology Reports, 7(2), 194-203. doi:10.1111/1758-2229.12222
  6. El Qada, E. N., Allen, S. J., & Walker, G. M. (2007). Kinetic modeling of the adsorption of basic dyes onto steam-activated bituminous coal. Industrial & Engineering Chemistry Research, 46(14), 4764-4771. doi:10.1021/ie0701165
  7. Foley, V. M., McSweeney, C. M., Eccles, K. S., Lawrence, S. E., & McGlacken, G. P. (2015). Asymmetric Aldol-Tishchenko Reaction of Sulfinimines. Organic Letters, 17(22), 5642-5645. doi:10.1021/acs.orglett.5b02919
  8. Ford, A., Miel, H., Ring, A., Slattery, C. N., Maguire, A. R., & McKervey, M. A. (2015). Modern Organic Synthesis with alpha-Diazocarbonyl Compounds. Chemical Reviews, 115(18), 9981-10080. doi:10.1021/acs.chemrev.5b00121
  9. Godinho, B., Malhotra, M., O’Driscoll, C. M., & Cryan, J. F. (2015). Delivering a disease-modifying treatment for Huntington’s disease. Drug Discovery Today, 20(1), 50-64. doi:10.1016/j.drudis.2014.09.011
  10. Gooding, M., Malhotra, M., McCarthy, D. J., Godinho, B., Cryan, J. F., Darcy, R., & O’Driscoll, C. M. (2015). Synthesis and characterization of rabies virus glycoprotein-tagged amphiphilic cyclodextrins for siRNA delivery in human glioblastoma cells: In vitro analysis. European Journal of Pharmaceutical Sciences, 71, 80-92. doi:10.1016/j.ejps.2015.02.007
  11. Grossjohann, C., Serrano, D. R., Paluch, K. J., O’Connell, P., Vella-Zarb, L., Manesiotis, P., . . . Healy, A. M. (2015). Polymorphism in Sulfadimidine/4-Aminosalicylic Acid Cocrystals: Solid-State Characterization and Physicochemical Properties. Journal of Pharmaceutical Sciences, 104(4), 1385-1398. doi:10.1002/jps.24345
  12. Gutierrez-Barranquero, J. A., Reen, F. J., McCarthy, R. R., & O’Gara, F. (2015). Deciphering the role of coumarin as a novel quorum sensing inhibitor suppressing virulence phenotypes in bacterial pathogens. Applied Microbiology and Biotechnology, 99(7), 3303-3316. doi:10.1007/s00253-015-6436-1
  13. Holmes, M. S., Seheult, J. N., O’Connell, P., D’Arcy, S., Ehrhardt, C., Healy, A. M., . . . Reilly, R. B. (2015). An Acoustic-Based Method to Detect and Quantify the Effect of Exhalation into a Dry Powder Inhaler. Journal of Aerosol Medicine and Pulmonary Drug Delivery, 28(4), 247-253. doi:10.1089/jamp.2014.1169
  14. Kamali, N., Aljohani, M., McArdle, P., & Erxleben, A. (2015). Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts. Crystal Growth & Design, 15(8), 3905-3916. doi:10.1021/acs.cgd.5b00529
  15. Kelly, P. S., Gallagher, C., Clynes, M., & Barron, N. (2015). Conserved microRNA function as a basis for Chinese hamster ovary cell engineering. Biotechnology Letters, 37(4), 787-798. doi:10.1007/s10529-014-1751-7
  16. Knapik, J., Wojnarowska, Z., Grzybowska, K., Jurkiewicz, K., Tajber, L., & Paluch, M. (2015). Molecular Dynamics and Physical Stability of Coamorphous Ezetimib and Indapamide Mixtures. Molecular Pharmaceutics, 12(10), 3610-3619. doi:10.1021/acs.molpharmaceut.5b00334
  17. Knopp, M. M., Tajber, L., Tian, Y. W., Olesen, N. E., Jones, D. S., Kozyra, A., . . . Rades, T. (2015). Comparative Study of Different Methods for the Prediction of Drug-Polymer Solubility. Molecular Pharmaceutics, 12(9), 3408-3419. doi:10.1021/acs.molpharmaceut.5b00423
  18. Kopf, A., Bicak, M., Kottmann, R., Schnetzer, J., Kostadinov, I., Lehmann, K., . . . Glockner, F. O. (2015). The ocean sampling day consortium. Gigascience, 4. doi:10.1186/s13742-015-0066-5
  19. Li, B. Y., Calvet, A., Casamayou-Boucau, Y., Morris, C., & Ryder, A. G. (2015). Low-Content Quantification in Powders Using Raman Spectroscopy: A Facile Chemometric Approach to Sub 0.1% Limits of Detection. Analytical Chemistry, 87(6), 3419-3428. doi:10.1021/ac504776m
  20. Liu, J., Svard, M., & Rasmuson, A. C. (2015). Influence of Agitation on Primary Nucleation in Stirred Tank Crystallizers. Crystal Growth & Design, 15(9), 4177-4184. doi:10.1021/cg501791q
  21. Mangwandi, C., Liu, J. T., Albadarin, A. B., Dhenge, R. M., & Walker, G. M. (2015). High shear granulation of binary mixtures: Effect of powder composition on granule properties. Powder Technology, 270, 424-434. doi:10.1016/j.powtec.2014.06.021
  22. McAuliffe, M. A. P., O’Mahony, G. E., Blackshields, C. A., Collins, J. A., Egan, D. P., Kiernan, L., . . . Crean, A. M. (2015). The Use of PAT and Off-line Methods for Monitoring of Roller Compacted Ribbon and Granule Properties with a View to Continuous Processing. Organic Process Research & Development, 19(1), 158-166. doi:10.1021/op5000013
  23. McCarthy, C. A., Ahern, R. J., Dontireddy, R., Ryan, K. B., & Crean, A. M. (2016). Mesoporous silica formulation strategies for drug dissolution enhancement: a review. Expert Opinion on Drug Delivery, 13(1), 93-108. doi:10.1517/17425247.2016.1100165
  24. McCarthy, R. R., & O’Gara, F. (2015). The impact of phytochemicals present in the diet on microbial signalling in the human gut. Journal of Functional Foods, 14, 684-691. doi:10.1016/j.jff.2015.02.032
  25. Mealey, D., Croker, D. M., & Rasmuson, A. C. (2015). Crystal nucleation of salicylic acid in organic solvents. Crystengcomm, 17(21), 3961-3973. doi:10.1039/c4ce01428f
  26. Mealey, D., Zeglinski, J., Khamar, D., & Rasmuson, A. C. (2015). Influence of solvent on crystal nucleation of risperidone. Faraday Discussions, 179, 309-328. doi:10.1039/c4fd00223g
  27. Mohammadi, M., Forsberg, K., Kloo, L., De La Cruz, J. M., & Rasmuson, A. (2015). Separation of ND(III), DY(III) and Y(III) by solvent extraction using D2EHPA and EHEHPA. Hydrometallurgy, 156, 215-224. doi:10.1016/j.hydromet.2015.05.004
  28. Molphy, Z., Slator, C., Chatgilialoglu, C., & Kellett, A. (2015). DNA oxidation profiles of copper phenanthrene chemical nucleases. Frontiers in Chemistry, 3. doi:10.3389/fchem.2015.00028
  29. Mugheirbi, N. A., & Tajber, L. (2015a). Crystal Habits of Itraconazole Microcrystals: Unusual Isomorphic Intergrowths Induced via Tuning Recrystallization Conditions. Molecular Pharmaceutics, 12(9), 3468-3478. doi:10.1021/acs.molpharmaceut.5b00480
  30. Mugheirbi, N. A., & Tajber, L. (2015b). Mesophase and size manipulation of itraconazole liquid crystalline nanoparticles produced via quasi nanoemulsion precipitation. European Journal of Pharmaceutics and Biopharmaceutics, 96, 226-236. doi:10.1016/j.ejpb.2015.08.005
  31. Nikolic, D. D., de Souza, B. P., & Frawley, P. J. (2015). Application of the Lagrangian CFD Approach to Modelling of Crystallization in Stirred Batch Reactors Using the Smoothed Particle Hydrodynamics Method. In K. V. Gernaey, J. K. Huusom, & R. Gani (Eds.), 12th International Symposium on Process Systems Engineering (Vol. 37, pp. 623-628).
  32. Nolan, M. T., Pardo, L. M., Prendergast, A. M., & McGlacken, G. P. (2015). Intramolecular Direct Arylation of 3-Halo-2-pyrones and 2-Coumarins. Journal of Organic Chemistry, 80(21), 10904-10913. doi:10.1021/acs.joc.5b02027
  33. Pallipurath, A., Skelton, J. M., Delori, A., Duffy, C., Erxleben, A., & Jones, W. (2015). Crystalline adducts of the Lawsone molecule(2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling. Crystengcomm, 17(40), 7684-7692. doi:10.1039/c5ce01644d
  34. Pallipurath, A. R., Skelton, J. M., Warren, M. R., Kamali, N., McArdle, P., & Erxleben, A. (2015). Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics. Molecular Pharmaceutics, 12(10), 3735-3748. doi:10.1021/acs.molpharmaceut.5b00504
  35. Pardo, L. M., Prendergast, A. M., Nolan, M. T., Muimhneachain, E. O., & McGlacken, G. P. (2015). Pd/Pivalic Acid Mediated Direct Arylation of 2-Pyrones and Related Heterocycles. European Journal of Organic Chemistry(16), 3540-3550. doi:10.1002/ejoc.201500262
  36. Potter, C., Tian, Y. W., Walker, G., McCoy, C., Hornsby, P., Donnelly, C., . . . Andrews, G. P. (2015). Novel Supercritical Carbon Dioxide Impregnation Technique for the Production of Amorphous Solid Drug Dispersions: A Comparison to Hot Melt Extrusion. Molecular Pharmaceutics, 12(5), 1377-1390. doi:10.1021/mp500644h
  37. Power, G., Hou, G. Y., Kamaraju, V. K., Morris, G., Zhao, Y., & Glennon, B. (2015). Design and optimization of a multistage continuous cooling mixed suspension, mixed product removal crystallizer. Chemical Engineering Science, 133, 125-139. doi:10.1016/j.ces.2015.02.014
  38. Rajendran, K. V., Nikitin, K. V., & Gilheany, D. G. (2015). Hammond Postulate Mirroring Enables Enantiomeric Enrichment of Phosphorus Compounds via Two Thermodynamically Interconnected Sequential Stereoselective Processes. Journal of the American Chemical Society, 137(29), 9375-9381. doi:10.1021/jacs.5b04415
  39. Reen, F. J., Gutierrez-Barranquero, J. A., Dobson, A. D. W., Adams, C., & O’Gara, F. (2015). Emerging Concepts Promising New Horizons for Marine Biodiscovery and Synthetic Biology. Marine Drugs, 13(5), 2924-2954. doi:10.3390/md13052924
  40. Reen, F. J., Shanahan, R., Cano, R., O’Gara, F., & McGlacken, G. P. (2015). A structure activity-relationship study of the bacterial signal molecule HHQ reveals swarming motility inhibition in Bacillus atrophaeus. Organic & Biomolecular Chemistry, 13(19), 5537-5541. doi:10.1039/c5ob00315f
  41. Salameh, Y., Albadarin, A. B., Allen, S., Walker, G., & Ahmad, M. N. M. (2015). Arsenic(III,V) adsorption onto charred dolomite: Charring optimization and batch studies. Chemical Engineering Journal, 259, 663-671. doi:10.1016/j.cej.2014.08.038
  42. Sang, Y. C., Albadarin, A. B., Al-Muhtaseb, A. H., Mangwandi, C., McCracken, J. N., Bell, S. E. J., & Walker, G. M. (2015). Properties of super-hydrophobic copper and stainless steel meshes: Applications in controllable water permeation and organic solvents/water separation. Applied Surface Science, 335, 107-114. doi:10.1016/j.apsusc.2015.02.034
  43. Serrano, D. R., Gallagher, K. H., & Healy, A. M. (2015). Emerging Nanonisation Technologies: Tailoring Crystalline Versus Amorphous Nanomaterials. Current Topics in Medicinal Chemistry, 15(22), 2327-2340. doi:10.2174/1568026615666150605122917
  44. Serrano, D. R., O’Connell, P., Paluch, K. J., Walsh, D., & Healy, A. M. (2016). Cocrystal habit engineering to improve drug dissolution and alter derived powder properties. Journal of Pharmacy and Pharmacology, 68(5), 665-677. doi:10.1111/jphp.12476
  45. Shirsat, N., Mohd, A., Whelan, J., English, N. J., Glennon, B., & Al-Rubeai, M. (2015). Revisiting Verhulst and Monod models: analysis of batch and fed-batch cultures. Cytotechnology, 67(3), 515-530. doi:10.1007/s10616-014-9712-5
  46. Sinha, A. S., Khandavilli, U. B. R., O’Connor, E. L., Deadman, B. J., Maguire, A. R., & Lawrence, S. E. (2015). Novel co-crystals of the nutraceutical sinapic acid. Crystengcomm, 17(26), 4832-4841. doi:10.1039/c5ce00777a
  47. Sinha, A. S., Maguire, A. R., & Lawrence, S. E. (2015). Cocrystallization of Nutraceuticals. Crystal Growth & Design, 15(2), 984-1009. doi:10.1021/cg501009c
  48. Tierney, T. B., Guo, Y. N., Beloshapkin, S., Rasmuson, A. C., & Hudson, S. P. (2015). Investigation of the Particle Growth of Fenofibrate following Antisolvent Precipitation and Freeze-Drying. Crystal Growth & Design, 15(11), 5213-5222. doi:10.1021/acs.cgd.5b00662
  49. Umerska, A., Paluch, K. J., Santos-Martinez, M. J., Medina, C., Corrigan, O. I., & Tajber, L. (2015). Chondroitin-based nanoplexes as peptide delivery systems – Investigations into the self-assembly process, solid-state and extended release characteristics. European Journal of Pharmaceutics and Biopharmaceutics, 93, 242-253. doi:10.1016/j.ejpb.2015.04.006
  50. Walshe, N., Crushell, M., Karpinska, J., Erxleben, A., & McArdle, P. (2015). Anisotropic Crystal Growth in Flat and Nonflat Systems: The Important Influence of van der Waals Contact Molecular Stacking on Crystal Growth and Dissolution. Crystal Growth & Design, 15(7), 3235-3248. doi:10.1021/acs.cgd.5b00348
  51. Wlodarski, K., Sawicki, W., Haber, K., Knapik, J., Wojnarowska, Z., Paluch, M., . . . Tajber, L. (2015). Physicochemical properties of tadalafil solid dispersions – Impact of polymer on the apparent solubility and dissolution rate of tadalafil. European Journal of Pharmaceutics and Biopharmaceutics, 94, 106-115. doi:10.1016/j.ejpb.2015.04.031
  52. Wlodarski, K., Sawicki, W., Kozyra, A., & Tajber, L. (2015). Physical stability of solid dispersions with respect to thermodynamic solubility of tadalafil in PVP-VA. European Journal of Pharmaceutics and Biopharmaceutics, 96, 237-246. doi:10.1016/j.ejpb.2015.07.026
  53. Wojnarowska, Z., Paluch, K. J., Shoifet, E., Schick, C., Tajber, L., Knapik, J., . . . Paluch, M. (2015). Molecular Origin of Enhanced Proton Conductivity in Anhydrous Ionic Systems. Journal of the American Chemical Society, 137(3), 1157-1164. doi:10.1021/ja5103458
  54. Zhang, S., Chen, H., & Rasmuson, A. C. (2015). Thermodynamics and crystallization of a theophylline-salicylic acid cocrystal. Crystengcomm, 17(22), 4125-4135. doi:10.1039/c5ce00240k
  55. Zhang, T., Paluch, K., Scalabrino, G., Frankish, N., Healy, A. M., & Sheridan, H. (2015). Molecular structure studies of (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol. Journal of Molecular Structure, 1083, 286-299. doi:10.1016/j.molstruc.2014.12.018
  56. Zhao, Y., Kamaraju, V. K., Hou, G. Y., Power, G., Donnellan, P., & Glennon, B. (2015). Kinetic identification and experimental validation of continuous plug flow crystallisation. Chemical Engineering Science, 133, 106-115. doi:10.1016/j.ces.2015.02.019

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