Publications 2016

Publications - 2016

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

  1. Akula, R., Doran, R., & Guiry, P. J. (2016). Highly Enantioselective Formation of alpha-Allyl-alpha-Arylcyclopentanones via Pd-Catalysed Decarboxylative Asymmetric Allylic Alkylation. Chemistry-a European Journal, 22(29), 9938-9942. doi:10.1002/chem.201602250
  2. Akula, R., & Guiry, P. J. (2016). Enantioselective Synthesis of alpha-Allyl-alpha-aryldihydrocoumarins and 3-lsochromanones via Pd-Catalyzed Decarboxylative Asymmetric Allylic Alkylation. Organic Letters, 18(21), 5472-5475. doi:10.1021/acs.orglett.6b02584
  3. Amharar, Y., Curtin, V., Gallagher, K. H., O’Siochru, E., O’Connell, P., & Healy, A. M. (2016). Mitigating unwanted amorphisation: A screening method for the selection of suitable excipients. European Journal of Pharmaceutical Sciences, 81, 181-188. doi:10.1016/j.ejps.2015.10.016
  4. Baghel, S., Cathcart, H., & O’Reilly, N. J. (2016a). Polymeric Amorphous Solid Dispersions: A Review of Amorphization, Crystallization, Stabilization, Solid-State Characterization, and Aqueous Solubilization of Biopharmaceutical Classification System Class II Drugs. Journal of Pharmaceutical Sciences, 105(9), 2527-2544. doi:10.1016/j.xphs.2015.10.008
  5. Baghel, S., Cathcart, H., & O’Reilly, N. J. (2016b). Theoretical and experimental investigation of drug-polymer interaction and miscibility and its impact on drug supersaturation in aqueous medium. European Journal of Pharmaceutics and Biopharmaceutics, 107, 16-31. doi:10.1016/j.ejpb.2016.06.024
  6. Baghel, S., Cathcart, H., Redington, W., & O’Reilly, N. J. (2016). An investigation into the crystallization tendency/kinetics of amorphous active pharmaceutical ingredients: A case study with dipyridamole and cinnarizine. European Journal of Pharmaceutics and Biopharmaceutics, 104, 59-71. doi:10.1016/j.ejpb.2016.04.017
  7. Bodnar, K., Hudson, S. P., & Rasmuson, A. C. (2017). Stepwise Use of Additives for Improved Control over Formation and Stability of Mefenamic Acid Nanocrystals Produced by Antisolvent Precipitation. Crystal Growth & Design, 17(2), 454-466. doi:10.1021/acs.cgd.6b01256
  8. Buzid, A., Muimhneachain, E. O., Reen, F. J., Hayes, P. E., Pardo, L. M., Shang, F. J., . . . McGlacken, G. P. (2016). Synthesis and electrochemical detection of a thiazolyl-indole natural product isolated from the nosocomial pathogen Pseudomonas aeruginosa. Analytical and Bioanalytical Chemistry, 408(23), 6361-6367. doi:10.1007/s00216-016-9749-8
  9. Buzid, A., Shang, F. J., Reen, F. J., Muimhneachain, E. O., Clarke, S. L., Zhou, L., . . . Glennon, J. D. (2016). Molecular Signature of Pseudomonas aeruginosa with Simultaneous Nanomolar Detection of Quorum Sensing Signaling Molecules at a Boron-Doped Diamond Electrode. Scientific Reports, 6. doi:10.1038/srep30001
  10. Byrne, P. A., & Gilheany, D. G. (2016). The Mechanism of Phosphonium Ylide Alcoholysis and Hydrolysis: Concerted Addition of the O-H Bond Across the P=C Bond. Chemistry-a European Journal, 22(27), 9140-9154. doi:10.1002/chem.201600530
  11. Cano, R., Perez, J. M., Ramon, D. J., & McGlacken, G. P. (2016). Impregnated palladium on magnetite as catalyst for direct arylation of heterocycles. Tetrahedron, 72(8), 1043-1050. doi:10.1016/j.tet.2015.12.039
  12. Clarke, S. A., Choi, S. Y., McKechnie, M., Burke, G., Dunne, N., Walker, G., . . . Buchanan, F. (2016). Osteogenic cell response to 3-D hydroxyapatite scaffolds developed via replication of natural marine sponges. Journal of Materials Science-Materials in Medicine, 27(2). doi:10.1007/s10856-015-5630-0
  13. Clarke, S. L., & McGlacken, G. P. (2017). Methyl fluorosulfonyldifluoroacetate (MFSDA): an underutilised reagent for trifluoromethylation. Chemistry–A European Journal, 23(6), 1219-1230.
  14. Cogoni, G., de Souza, B., Croker, D. M., & Frawley, P. J. (2016). Solubility of (S)-3-(Aminomethyl)-5-Methylhexanoic Acid in Pure and Binary Solvent Mixtures. Journal of Chemical and Engineering Data, 61(1), 587-593. doi:10.1021/acs.jced.5b00736
  15. Contente, M. L., Planchestainer, M., Molinari, F., & Paradisi, F. (2016). Stereoelectronic effects in the reaction of aromatic substrates catalysed by Halomonas elongata transaminase and its mutants. Organic & Biomolecular Chemistry, 14(39), 9306-9311. doi:10.1039/c6ob01629d
  16. de Souza, B., Cogoni, G., Tyrrell, R., & Frawley, P. J. (2016). Evidence of Crystal Nuclei Breeding in Laboratory Scale Seeded Batch Isothermal Crystallization Experiments. Crystal Growth & Design, 16(6), 3443-3453. doi:10.1021/acs.cgd.6b00407
  17. Dennehy, O. C., Cacheux, V. M. Y., Deadman, B. J., Lynch, D., Collins, S. G., Moynihan, H. A., & Maguire, A. R. (2016). Development of a continuous process for alpha-thio-beta-chloroacrylamide synthesis with enhanced control of a cascade transformation. Beilstein Journal of Organic Chemistry, 12, 2511-2522. doi:10.3762/bjoc.12.246
  18. Douglas, P., Albadarin, A. B., Sajjia, M., Mangwandi, C., Kuhs, M., Collins, M. N., & Walker, G. M. (2016). Effect of poly ethylene glycol on the mechanical and thermal properties of bioactive poly(epsilon-caprolactone) melt extrudates for pharmaceutical applications. International Journal of Pharmaceutics, 500(1-2), 179-186. doi:10.1016/j.ijpharm.2016.01.036
  19. Douglas, P., Kuhs, M., Sajjia, M., Khraisheh, M., Walker, G., Collins, M. N., & Albadarin, A. B. (2016). Bioactive PCL matrices with a range of structural & rheological properties. Reactive & Functional Polymers, 101, 54-62. doi:10.1016/j.reactfunctpolym.2016.02.004
  20. Flynn, G., Ramasse, Q. M., & Ryan, K. M. (2016). Solvent Vapor Growth of Axial Heterostructure Nanowires with Multiple Alternating Segments of Silicon and Germanium. Nano Letters, 16(1), 374-380. doi:10.1021/acs.nanolett.5b03950
  21. Gniado, K., Lobmann, K., Rades, T., & Erxleben, A. (2016). The influence of co-formers on the dissolution rates of co-amorphous sulfamerazine/excipient systems. International Journal of Pharmaceutics, 504(1-2), 20-26. doi:10.1016/j.ijpharm.2016.03.023
  22. Grau-Bove, J., Mangwandi, C., Walker, G., Ring, D., & Cronin, K. (2016). Studies into the effect of temperature on the impact of model particles in co-melt granulation. Powder Technology, 294, 411-420. doi:10.1016/j.powtec.2016.02.041
  23. Hayes, J. A., Eccles, K. S., Lawrence, S. E., & Moynihan, H. A. (2016). Methyl tetra-O-acetyl-alpha-D-glucopyranuronate: crystal structure and influence on the crystallisation of the beta anomer. Carbohydrate Research, 425, 35-39. doi:10.1016/j.carres.2016.01.012
  24. Kamali, N., Erxleben, A., & McArdle, P. (2016). Unexpected Effects of Catalytic Amounts of Additives on Crystallization from the Gas Phase: Depression of the Sublimation Temperature and Polymorph Control. Crystal Growth & Design, 16(5), 2492-2495. doi:10.1021/acs.cgd.6b00415
  25. Kelly, P. S., McSweeney, S., Coleman, O., Carillo, S., Henry, M., Chandran, D., . . . Barron, N. (2016). Process-Relevant Concentrations of the Leachable bDtBPP Impact Negatively on CHO Cell Production Characteristics. Biotechnology Progress, 32(6), 1547-1558. doi:10.1002/btpr.2345
  26. Kennedy, T., Brandon, M., & Ryan, K. M. (2016). Advances in the Application of Silicon and Germanium Nanowires for High-Performance Lithium-Ion Batteries. Advanced Materials, 28(27), 5696-5704. doi:10.1002/adma.201503978
  27. Kennedy, T., Brandon, M., & Ryan, K. M. (2016). Advances in the application of silicon and germanium nanowires for high‐performance lithium‐ion batteries. Advanced Materials, 28(27), 5696-5704.
  28. Khandavilli, U. B. R., Lusi, M., Bhogala, B. R., Maguire, A. R., Stein, M., & Lawrence, S. E. (2016). Diversity in a simple co-crystal: racemic and kryptoracemic behaviour. Chemical Communications, 52(53), 8309-8312. doi:10.1039/c6cc04148e
  29. Knapik, J., Wojnarowska, Z., Grzybowska, K., Tajber, L., Mesallati, H., Paluch, K. J., & Paluch, M. (2016). Molecular Dynamics and Physical Stability of Amorphous Nimesulide Drug and Its Binary Drug-Polymer Systems. Molecular Pharmaceutics, 13(6), 1937-1946. doi:10.1021/acs.molpharmaceut.6b00115
  30. Li, B. Y., Calvet, A., Casamayou-Boucau, Y., & Ryder, A. G. (2016). Kernel principal component analysis residual diagnosis (KPCARD): An automated method for cosmic ray artifact removal in Raman spectra. Analytica Chimica Acta, 913, 111-120. doi:10.1016/j.aca.2016.01.042
  31. Mackey, K., Pardo, L. M., Prendergast, A. M., Nolan, M. T., Bateman, L. M., & McGlacken, G. P. (2016). Cyclization of 4-Phenoxy-2-coumarins and 2-Pyrones via a Double C-H Activation. Organic Letters, 18(11), 2540-2543. doi:10.1021/acs.orglett.6b00751
  32. Mc Gillicuddy, A., Kelly, M., Sweeney, C., Carmichael, A., Crean, A. M., & Sahm, L. J. (2016). Modification of oral dosage forms for the older adult: An Irish prevalence study. International Journal of Pharmaceutics, 510(1), 386-393. doi:10.1016/j.ijpharm.2016.06.056
  33. McCaw, P. G., Deadman, B. J., Maguire, A. R., & Collins, S. G. (2016). Delivering Enhanced Efficiency in the Synthesis of alpha-Diazosulfoxides by Exploiting the Process Control Enabled in Flow. Journal of Flow Chemistry, 6(3), 226-233. doi:10.1556/1846.2016.00013
  34. Mirza, Z., Liu, J. T., Glocheux, Y., Albadarin, A. B., Walker, G. M., & Mangwandi, C. (2015). Effect of impeller design on homogeneity, size and strength of pharmaceutical granules produced by high-shear wet granulation. Particuology, 23, 31-39. doi:10.1016/j.partic.2014.12.009
  35. Morris, G., Power, G., Ferguson, S., Barrett, M., Hou, G. Y., & Glennon, B. (2015). Estimation of Nucleation and Growth Kinetics of Benzoic Acid by Population Balance Modeling of a Continuous Cooling Mixed Suspension, Mixed Product Removal Crystallizer. Organic Process Research & Development, 19(12), 1891-1902. doi:10.1021/acs.oprd.5b00139
  36. Mugheirbi, N. A., Fleischer, K., & Tajber, L. (2016). A Rare Case of Mesomorphic Behavior-Molecular Reorientation of Itraconazole Liquid Crystal Induced by a Hygrothermal Treatment. Crystal Growth & Design, 16(3), 1329-1336. doi:10.1021/acs.cgd.5b01464
  37. Mullins, N. D., Deadman, B. J., Moynihan, H. A., McCarthy, F. O., Lawrence, S. E., Thompson, J., & Maguire, A. R. (2016). The impact of storage conditions upon gentamicin coated antimicrobial implants. Journal of Pharmaceutical Analysis, 6(6), 374-381. doi:10.1016/j.jpha.2016.05.002
  38. Nikolic, D. D., & Frawley, P. J. (2016). Application of the Lagrangian meshfree approach to modelling of batch crystallisation: Part I-Modelling of stirred tank hydrodynamics. Chemical Engineering Science, 145, 317-328. doi:10.1016/j.ces.2015.08.052
  39. Pastor-Cavada, E., Pardo, L. M., Kandil, D., Torres-Fuentes, C., Clarke, S. L., Shaban, H., . . . Schellekens, H. (2016). A Novel Non-Peptidic Agonist of the Ghrelin Receptor with Orexigenic Activity In vivo. Scientific Reports, 6. doi:10.1038/srep36456
  40. Pourtousi, M., Ganesan, P., Sandaran, S. C., & Sahu, J. N. (2016). Effect of ring sparger diameters on hydrodynamics in bubble column: A numerical investigation. Journal of the Taiwan Institute of Chemical Engineers, 69, 14-24. doi:10.1016/j.jtice.2016.10.006
  41. Reen, F. J., Phelan, J. P., Gallagher, L., Woods, D. F., Shanahan, R. M., Cano, R., . . . O’Gara, F. (2016). Exploiting Interkingdom Interactions for Development of Small-Molecule Inhibitors of Candida albicans Biofilm Formation. Antimicrobial Agents and Chemotherapy, 60(10), 5894-5905. doi:10.1128/aac.00190-16
  42. Reen, F. J., Phelan, J. P., Woods, D. F., Shanahan, R., Cano, R., Clarke, S., . . . O’Gara, F. (2016). Harnessing Bacterial Signals for Suppression of Biofilm Formation in the Nosocomial Fungal Pathogen Aspergillus fumigatus. Frontiers in Microbiology, 7. doi:10.3389/fmicb.2016.02074
  43. Sajjia, M., Albadarin, A. B., & Walker, G. (2016). Statistical analysis of industrial-scale roller compactor ‘Freund TF-MINI model’. International Journal of Pharmaceutics, 513(1-2), 453-463. doi:10.1016/j.ijpharm.2016.09.052
  44. Serrano, D. R., Mugheirbi, N. A., O’Connell, P., Leddy, N., Healy, A. M., & Tajber, L. (2016). Impact of Substrate Properties on the Formation of Spherulitic Films: A Case Study of Salbutamol Sulfate. Crystal Growth & Design, 16(7), 3853-3858. doi:10.1021/acs.cgd.6b00390
  45. Serrano, D. R., Persoons, T., D’Arcy, D. M., Galiana, C., Dea-Ayuela, M. A., & Healy, A. M. (2016). Modelling and shadowgraph imaging of cocrystal dissolution and assessment of in vitro antimicrobial activity for sulfadimidine/4-aminosalicylic acid cocrystals. European Journal of Pharmaceutical Sciences, 89, 125-136. doi:10.1016/j.ejps.2016.04.030
  46. Shanahan, R., Reen, F. J., Cano, R., O’Gara, F., & McGlacken, G. P. (2017). The requirements at the C-3 position of alkylquinolones for signalling in Pseudomonas aeruginosa. Organic & Biomolecular Chemistry, 15(2), 306-310. doi:10.1039/c6ob01930g
  47. Simon, A., Amaro, M. I., Cabral, L. M., Healy, A. M., & de Sousa, V. P. (2016). Development of a novel dry powder inhalation formulation for the delivery of rivastigmine hydrogen tartrate. International Journal of Pharmaceutics, 501(1-2), 124-138. doi:10.1016/j.ijpharm.2016.01.066
  48. Singh, S., Brandon, M., Liu, P., Laffir, F., Redington, W., & Ryan, K. M. (2016). Selective Phase Transformation of Wurtzite Cu2ZnSn(SSe)(4) (CZTSSe) Nanocrystals into Zinc-Blende and Kesterite Phases by Solution and Solid State Transformations. Chemistry of Materials, 28(14), 5055-5062. doi:10.1021/acs.chemmater.6b01845
  49. Svard, M., Hjorth, T., Bohlin, M., & Rasmuson, A. C. (2016). Calorimetric Properties and Solubility in Five Pure Organic Solvents of N-Methyl-D-Glucamine (Meglumine). Journal of Chemical and Engineering Data, 61(3), 1199-1204. doi:10.1021/acs.jced.5b00816
  50. Svard, M., Valavi, M., Khamar, D., Kuhs, M., & Rasmuson, A. C. (2016). Thermodynamic Stability Analysis of Tolbutamide Polymorphs and Solubility in Organic Solvents. Journal of Pharmaceutical Sciences, 105(6), 1901-1906. doi:10.1016/j.xphs.2016.03.021
  51. Tarrant, E., O’Brien, C. V., & Collins, S. G. (2016). Studies towards a greener diazo transfer methodology. Rsc Advances, 6(37), 31202-31209. doi:10.1039/c6ra03678c
  52. Tewes, F., Brillault, J., Lamy, B., O’Connell, P., Olivier, J. C., Couet, W., & Healy, A. M. (2016). Ciprofloxacin-Loaded Inorganic-Organic Composite Microparticles To Treat Bacterial Lung Infection. Molecular Pharmaceutics, 13(1), 100-112. doi:10.1021/acs.molpharmaceut.5b00543
  53. Tewes, F., Gobbo, O. L., Ehrhardt, C., & Healy, A. M. (2016). Amorphous Calcium Carbonate Based-Microparticles for Peptide Pulmonary Delivery. Acs Applied Materials & Interfaces, 8(2), 1164-1175. doi:10.1021/acsami.5b09023
  54. Tierney, T., Bodnar, K., Rasmuson, A., & Hudson, S. (2017). Carrier particle design for stabilization and isolation of drug nanoparticles. International Journal of Pharmaceutics, 518(1-2), 111-118. doi:10.1016/j.ijpharm.2016.11.045
  55. Ukrainczyk, M., Hodnett, B. K., & Rasmuson, A. C. (2016). Process Parameters in the Purification of Curcumin by Cooling Crystallization. Organic Process Research & Development, 20(9), 1593-1602. doi:10.1021/acs.oprd.6b00153
  56. Valavi, M., Svard, M., & Rasmuson, A. C. (2016a). Improving Estimates of the Crystallization Driving Force: Investigation into the Dependence on Temperature and Composition of Activity Coefficients in Solution. Crystal Growth & Design, 16(12), 6951-6960. doi:10.1021/acs.cgd.6b01137
  57. Valavi, M., Svard, M., & Rasmuson, A. C. (2016b). Prediction of the Solubility of Medium-Sized Pharmaceutical Compounds Using a Temperature-Dependent NRTL-SAC Model. Industrial & Engineering Chemistry Research, 55(42), 11150-11159. doi:10.1021/acs.iecr.6b02609
  58. Wang, J. J., & Ryan, K. M. (2016). Colloidal synthesis of Cu2SnSe3 nanocrystals with structure induced shape evolution. Crystengcomm, 18(18), 3161-3169. doi:10.1039/c6ce00251j
  59. Wlodarski, K., Tajber, L., & Sawicki, W. (2016). Physicochemical properties of direct compression tablets with spray dried and ball milled solid dispersions of tadalafil in PVP-VA. European Journal of Pharmaceutics and Biopharmaceutics, 109, 14-23. doi:10.1016/j.ejpb.2016.09.011
  60. Zelikin, A. N., Ehrhardt, C., & Healy, A. M. (2016). Materials and methods for delivery of biological drugs. Nature Chemistry, 8(11), 997-1007. doi:10.1038/nchem.2629
  61. Zelikin, A. N., Ehrhardt, C., & Healy, A. M. (2016). Materials and methods for delivery of biological drugs. Nature chemistry, 8(11), 997.

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