UCD School of Chemical and Bioprocess Engineering

School of Chemical and Bioprocess Engineering - Research Publications 2022/23

Below is the list of research publications for the School of Chemical and Bioprocess Engineering in the academic year 2022/23.



Chapter

Dr Jessica Whelan

McDonnell, S., Floyd Principe, R., Soares Zamprognio, M., & Whelan, J. (n.d.). Challenges and Emerging Technologies in Biomanufacturing of Monoclonal Antibodies (mAbs). In Biomedical Engineering. IntechOpen. doi:10.5772/intechopen.108565

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Journal article

Professor Niall Barron

Lao, N., & Barron, N. (2023). Enhancing recombinant protein and viral vector production in mammalian cells by targeting the YTHDF readers of N<sup>6</sup>-methyladenosine in mRNA. Biotechnology Journal, 18(4). doi:10.1002/biot.202200451

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Dr Mark Berney

Fay, E. M., Newton, A., Berney, M., El-Sagheer, A. H., Brown, T., & McGouran, J. F. (2023). Two-Step Validation Approach for Tools To Study the DNA Repair Enzyme SNM1A. ChemBioChem, 24(13). doi:10.1002/cbic.202200756

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Dr Daniela Boehm

Gunes, S., He, Z., Tsoukou, E., Ng, S. W., Boehm, D., Lopes, B. P., et al. (2022). Cell death induced in glioblastoma cells by Plasma-Activated-Liquids (PAL) is primarily mediated by membrane lipid peroxidation and not ROS influx. PLoS ONE, 17(9 September). doi:10.1371/journal.pone.0274524

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Tsoukou, E., Bourke, P., & Boehm, D. (2022). Efficacy of plasma activated saline in a co-culture infection control model. Scientific Reports, 12(1). doi:10.1038/s41598-022-20165-z

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Dr Jonathan Bones

Millán-Martín, S., Jakes, C., Carillo, S., Gallagher, L., Scheffler, K., Broster, K., & Bones, J. (2023). Multi-Attribute Method (MAM): An Emerging Analytical Workflow for Biopharmaceutical Characterization, Batch Release and cGMP Purity Testing at the Peptide and Intact Protein Level. Critical Reviews in Analytical Chemistry. doi:10.1080/10408347.2023.2238058

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Millán-Martín, S., Jakes, C., Carillo, S., Rogers, R., Ren, D., & Bones, J. (2023). Comprehensive multi-attribute method workflow for biotherapeutic characterization and current good manufacturing practices testing. Nature Protocols, 18(4), 1056-1089. doi:10.1038/s41596-022-00785-5

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Smith, J., Strasser, L., Guapo, F., Milian, S. G., Snyder, R. O., & Bones, J. (2023). SP3-based host cell protein monitoring in AAV-based gene therapy products using LC-MS/MS. European Journal of Pharmaceutics and Biopharmaceutics, 189, 276-280. doi:10.1016/j.ejpb.2023.06.019

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Dr Sergio Carrillo De Hert

Flores, S. L., Mu, J., Cabry, C. P., Peterson, J., De Hert, S. C., Morrison, L., et al. (2023). Microstructural and thermodynamic characterization of wormlike micelles formed by polydisperse ionic surfactant solutions. Journal of Chemical Physics, 159(5). doi:10.1063/5.0153746

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Professor Eoin Casey

Khan, Z., Long, X., Casey, E., Dowling, D., & Ferguson, S. (2023). Development of continuous spatially distributed diafiltration unit operations. Reaction Chemistry and Engineering, 8(7), 1785-1798. doi:10.1039/d3re00013c

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Bahramian, M., Dereli, R. K., Zhao, W., Giberti, M., & Casey, E. (2023). Data to intelligence: The role of data-driven models in wastewater treatment. Expert Systems with Applications, 217. doi:10.1016/j.eswa.2022.119453

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Dr Colin Clarke

Silvano, M., Correia, R., Virgolini, N., Clarke, C., Alves, P. M., Isidro, I. A., & Roldão, A. (2022). Gene Expression Analysis of Adapted Insect Cells during Influenza VLP Production Using RNA-Sequencing. Viruses, 14(10). doi:10.3390/v14102238

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Silvano, M., Virgolini, N., Correia, R., Clarke, C., Isidro, I. A., Alves, P. M., & Roldão, A. (2023). Dissecting insect cell heterogeneity during influenza VLP production using single-cell transcriptomics. Frontiers in Bioengineering and Biotechnology, 11. doi:10.3389/fbioe.2023.1143255

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Virgolini, N., Hagan, R., Correia, R., Silvano, M., Fernandes, S., Alves, P. M., et al. (2023). Transcriptome analysis of Sf9 insect cells during production of recombinant Adeno-associated virus. Biotechnology Journal, 18(2). doi:10.1002/biot.202200466

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Dr Recep Kaan Dereli

Bahramian, M., Dereli, R. K., Zhao, W., Giberti, M., & Casey, E. (2023). Data to intelligence: The role of data-driven models in wastewater treatment. Expert Systems with Applications, 217. doi:10.1016/j.eswa.2022.119453

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Saddiqi, M. M., Zhao, W., Cotterill, S., & Dereli, R. K. (2023). Smart management of combined sewer overflows: From an ancient technology to artificial intelligence. Wiley Interdisciplinary Reviews: Water, 10(3). doi:10.1002/wat2.1635

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Dr Mohammad Ali Ekhtiari

Ekhtiari, A., Flynn, D., & Syron, E. (n.d.). Green Hydrogen Blends with Natural Gas and Its Impact on the Gas Network. Hydrogen, 3(4), 402-417. doi:10.3390/hydrogen3040025

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Professor Niall English

Ghafar, F. A., Etherton, D., Liu, S., Buckley, C. E., English, N. J., Silvester, D. S., & Sofianos, M. V. (2022). Tuning the Catalytic Activity of Bifunctional Cobalt Boride Nanoflakes for Overall Water Splitting over a Wide pH Range. Journal of the Electrochemical Society, 169(9). doi:10.1149/1945-7111/ac8d2f

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Keshavarz, L., Ghaani, M. R., & English, N. J. (2022). Thermodynamic evaluation of inhibitors for methane-hydrate formation. Fuel, 324. doi:10.1016/j.fuel.2022.124672

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Grandhe, R., Katta, V. K., Samanta, P. K., Katari, N. K., English, N. J., Dutta, D. P., & Rao Ravuri, B. (2022). Suitability and performance of NaNi<inf>1-x</inf>(VO)<inf>x</inf>PO<inf>4</inf> mixed polyanion glass and Glass-Ceramic cathodes for Na-ion battery. Materials Science and Engineering: B, 285. doi:10.1016/j.mseb.2022.115938

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English, N. (2022). From Molecular- to Plant-Scale Computational-Engineering Design: Applied Training Spanning Scales. Chemical Engineering Education, (56), 242-249.

 

Kusalik, P. G., Gracheva, M. E., Shaik, S., & English, N. J. (2022). New perspectives on molecular simulation of chemistry and physics in external electric fields. Physical Chemistry Chemical Physics, 24(47), 28660-28661. doi:10.1039/d2cp90209e

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Jia, Y., Bandaru, S., Cheepurupalli, K. K., Zhao, L., English, N. J., & Zhang, X. (2022). Tunable electronic, magnetic, and optical properties of carbon-nanomaterial/a-Fe<inf>2</inf>O<inf>3</inf> interface: A first-principles study. Materials Today Communications, 33. doi:10.1016/j.mtcomm.2022.104890

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Martinez-Gonzalez, J. A., Nandi, P. K., English, N. J., & Gowen, A. (2022). Vibrational Analysis of Hydration-Layer Water around Ubiquitin, Unpeeled Layer by Layer: Molecular-Dynamics Perceptions. International Journal of Molecular Sciences, 23(24). doi:10.3390/ijms232415949

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Martinez-Gonzalez, J. A., Nandi, P. K., English, N., & Gowen, A. (2022). Vibrational Analysis of Hydration-Layer Water around Ubiquitin, Unpeeled Layer by Layer: Molecular-Dynamics Perceptions. International Journal of Molecular Sciences.

 

O’Carroll, D., Martinez-Gonzalez, J. A., & English, N. J. (2023). Coherency spectral analysis of interfacial water at TiO<inf>2</inf> surfaces. Molecular Simulation, 49(12), 1185-1194. doi:10.1080/08927022.2020.1764951

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Ajide, M. T., O’Carroll, D., & English, N. J. (2023). Structural, dynamical and dielectric properties of water in contact with TiO<inf>2</inf> surfaces via molecular-dynamics simulations. Molecular Physics. doi:10.1080/00268976.2023.2211404

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Krishna Sahith Sayani, J., English, N. J., Khan, M. S., & Ali, A. (2023). A prediction model to predict the thermodynamic conditions of gas hydrates. Chemosphere, 313. doi:10.1016/j.chemosphere.2022.137550

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Sayani, J. K. S., English, N. J., Khan, M. S., Lal, B., & Kamireddi, V. R. (2023). Estimation of Thermodynamic Stability of Methane and Carbon Dioxide Hydrates in the Presence of Hydrogen Sulfide. ACS Omega, 8(7), 6218-6224. doi:10.1021/acsomega.2c02823

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Sayani, J. K. S., English, N., Khan, M. S., Lal, B., & Kamireddi, V. R. (2023). Estimation of Thermodynamic Stability of Methane and Carbon Dioxide Hydrates in the Presence of Hydrogen Sulphide. ACS Omega.

 

Rong, H., Jia, Y., Liu, W. W., Kumari Cheepurupalli, K., English, N. J., Zhang, X., et al. (2023). Evaluation of DFT+U and HSE Frameworks for Strongly Correlated Iron Oxide. ChemistrySelect, 8(12). doi:10.1002/slct.202204450

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Jannesari, M., Asadian, E., Ejehi, F., English, N. J., Mohammadpour, R., & Sasanpour, P. (2023). Boosting on-demand antibacterial activity using electrical stimulations from polypyrrole-graphene oxide triboelectric nanogenerator. Nano Energy, 112. doi:10.1016/j.nanoen.2023.108463

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O’Carroll, D., & English, N. J. (n.d.). Multi-Theory Comparisons of Molecular Simulation Approaches to TiO2/H2O Interfacial Systems. Crystals, 13(7), 1122. doi:10.3390/cryst13071122

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Prasad, M., English, N. J., & Chakraborty, S. N. (2023). Effect of static electric fields on liquid water, its structure, dynamics, and hydrogen bond asymmetry: A molecular dynamics simulation study of TIP4P/2005 water model. Journal of Chemical Physics, 159(5). doi:10.1063/5.0153851

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Assoc Professor Steven Ferguson

Shingte, S. D., Phakatkar, A. H., McKiernan, E., Nigoghossian, K., Ferguson, S., Shahbazian-Yassar, R., & Brougham, D. F. (2022). Correlating Magnetic Hyperthermia and Magnetic Resonance Imaging Contrast Performance of Cubic Iron Oxide Nanoparticles with Crystal Structural Integrity. Chemistry of Materials, 34(24), 10801-10810. doi:10.1021/acs.chemmater.2c00708

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Aluri, E. R., Shingte, S. D., McKiernan, E. P., Ferguson, S., & Brougham, D. F. (2023). Modulation of hyperthermic and relaxometric responses of magnetic iron oxide nanoparticles through ligand exchange provides design criteria for dual-functionality. Journal of Materials Chemistry C. doi:10.1039/d3tc00489a

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Khan, Z., Long, X., Casey, E., Dowling, D., & Ferguson, S. (2023). Development of continuous spatially distributed diafiltration unit operations. Reaction Chemistry and Engineering, 8(7), 1785-1798. doi:10.1039/d3re00013c

Available Online
 

Schenck, L., Patel, P., Sood, R., Bonaga, L., Capella, P., Dirat, O., et al. (2023). FDA/M-CERSI Co-Processed API Workshop Proceedings. Journal of Pharmaceutical Sciences, 112(8), 2069-2078. doi:10.1016/j.xphs.2023.01.006

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Stocker, M. W., Tsolaki, E., Harding, M. J., Healy, A. M., & Ferguson, S. (2023). Combining Isolation-Free and Co-Processing Manufacturing Approaches to Access Room Temperature Ionic Liquid Forms of APIs. Journal of Pharmaceutical Sciences, 112(8), 2079-2086. doi:10.1016/j.xphs.2023.01.030

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Myslinska, M., Stocker, M. W., Ferguson, S., & Healy, A. M. (2023). A Comparison of Spray-Drying and Co-Precipitation for the Generation of Amorphous Solid Dispersions (ASDs) of Hydrochlorothiazide and Simvastatin. Journal of Pharmaceutical Sciences, 112(8), 2097-2114. doi:10.1016/j.xphs.2023.02.012

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Erdemir, D., Ferguson, S., Marziano, I., & Hancock, B. (2023). Journal of Pharmaceutical Sciences Topic Cluster on Co-Processed Active Pharmaceutical Ingredients (APIs). Journal of Pharmaceutical Sciences, 112(8), 2009. doi:10.1016/j.xphs.2023.05.020

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Li, X., Wang, N., Huang, Y., Xing, J., Huang, X., Ferguson, S., et al. (2023). The role of solute conformation, solvent–solute and solute–solute interactions in crystal nucleation. AIChE Journal, 69(8). doi:10.1002/aic.18144

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Professor Brian Glennon

Thankappan, H., Burke, C., & Glennon, B. (2022). Indium chloride catalysed benzyl bromination using continuous flow technology. Organic and Biomolecular Chemistry, 21(3), 508-513. doi:10.1039/d2ob01840c

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Doyle, K., Tsopanoglou, A., Fejér, A., Glennon, B., & del Val, I. J. (2023). Automated assembly of hybrid dynamic models for CHO cell culture processes. Biochemical Engineering Journal, 191. doi:10.1016/j.bej.2022.108763

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Mr Dishon Hiebner

O’Donoghue, L., Comer, S. P., Hiebner, D. W., Schoen, I., von Kriegsheim, A., & Smolenski, A. (2023). RhoGAP6 interacts with COPI to regulate protein transport. Biochemical Journal, 480(14), 1109-1127. doi:10.1042/BCJ20230013

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Dr Ioscani Jimenez Del Val

Doyle, K., Tsopanoglou, A., Fejér, A., Glennon, B., & del Val, I. J. (2023). Automated assembly of hybrid dynamic models for CHO cell culture processes. Biochemical Engineering Journal, 191. doi:10.1016/j.bej.2022.108763

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Kotidis, P., Donini, R., Arnsdorf, J., Hansen, A. H., Voldborg, B. G. R., Chiang, A. W. T., et al. (2023). CHOGlycoNET: Comprehensive glycosylation reaction network for CHO cells. Metabolic Engineering, 76, 87-96. doi:10.1016/j.ymben.2022.12.009

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Dr Joaquin Klug

Zwane, R. R., Klug, J., Guerin, S., Thompson, D., & Reilly, A. M. (2023). Decoding Supramolecular Packing Patterns from Computed Anisotropic Deformability Maps of Molecular Crystals. Journal of Physical Chemistry C, 127(11), 5533-5543. doi:10.1021/acs.jpcc.2c08212

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Dr Georg Pesch

Pesch, G. R., Ridder, H., & Sinn, C. (2022). Operando characterization of heterogeneously catalyzed gas- and multi-phase reactions using nuclear magnetic resonance imaging. Chemical Engineering and Processing - Process Intensification, 179. doi:10.1016/j.cep.2022.109086

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Zhang, S., Tuk, B., van de Peppel, J., Kremers, G. J., Koedam, M., Pesch, G. R., et al. (2022). Microfluidic evidence of synergistic effects between mesenchymal stromal cell-derived biochemical factors and biomechanical forces to control endothelial cell function. Acta Biomaterialia, 151, 346-359. doi:10.1016/j.actbio.2022.08.025

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Muralidharan, A., Pesch, G. R., Hubbe, H., Rems, L., Nouri-Goushki, M., & Boukany, P. E. (2022). Microtrap array on a chip for localized electroporation and electro-gene transfection. Bioelectrochemistry, 147. doi:10.1016/j.bioelechem.2022.108197

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Ridder, H., Sinn, C., Pesch, G. R., Dreher, W., & Thöming, J. (2022). Longitudinal Relaxation (T<inf>1</inf>) of Methane/Hydrogen Mixtures for Operando Characterization of Gas-Phase Reactions. ACS Measurement Science Au, 2(5), 449-456. doi:10.1021/acsmeasuresciau.2c00022

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Weirauch, L., Giesler, J., Baune, M., Pesch, G. R., & Thöming, J. (2022). Shape-selective remobilization of microparticles in a mesh-based DEP filter at high throughput. Separation and Purification Technology, 300. doi:10.1016/j.seppur.2022.121792

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Giesler, J., Weirauch, L., Thöming, J., Baune, M., & Pesch, G. R. (2023). High-throughput dielectrophoretic separator based on printed circuit boards. Electrophoresis, 44(1-2), 72-81. doi:10.1002/elps.202200131

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Kepper, M., Karim, M. N., Baune, M., Thöming, J., & Pesch, G. R. (2023). Influence of the filter grain morphology on separation efficiency in dielectrophoretic filtration. Electrophoresis. doi:10.1002/elps.202300075

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Giesler, J., Weirauch, L., Rother, A., Thöming, J., Pesch, G. R., & Baune, M. (2023). Sorting Lithium-Ion Battery Electrode Materials Using Dielectrophoresis. ACS Omega, 8(29), 26635-26643. doi:10.1021/acsomega.3c04057

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Sadeghi, M., Ricke, A., Pesch, G. R., Dreher, W., & Thöming, J. (2023). Comparative full-field velocimetry of liquid flow within monolithic catalyst carriers via CFD simulations and MRV measurements. Experiments in Fluids, 64(8). doi:10.1007/s00348-023-03681-0

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Jai Krishna Sahith Sayani

Sayani, J. K. S., Khan, M. S., Pedapati, S. R., & Lal, B. (2022). Experimental investigation on the phase behaviour for gas hydrates in CO<inf>2</inf> rich gas mixtures &amp; multiphase system. Energy Reports, 8, 14793-14804. doi:10.1016/j.egyr.2022.10.426

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Sayani, J. K. S., Ho, K. J., Lal, B., & Pedapati, S. R. (2022). Experimental and simulation studies on the phase behaviour for gas hydrates in a CO<inf>2</inf> rich gas dominant multiphase pipeline system. Canadian Journal of Chemical Engineering, 100(11), 3419-3427. doi:10.1002/cjce.24319

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Dr Veronica Sofianos

Ghafar, F. A., Etherton, D., Liu, S., Buckley, C. E., English, N. J., Silvester, D. S., & Sofianos, M. V. (2022). Tuning the Catalytic Activity of Bifunctional Cobalt Boride Nanoflakes for Overall Water Splitting over a Wide pH Range. Journal of the Electrochemical Society, 169(9). doi:10.1149/1945-7111/ac8d2f

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Fu, B., Tzitzios, V., Zhang, Q., Rodriguez, B., Pissas, M., & Sofianos, M. V. (2023). Exploring the Magnetic and Electrocatalytic Properties of Amorphous MnB Nanoflakes. Nanomaterials, 13(2). doi:10.3390/nano13020300

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Chen, J., Xia, Q., Guo, Y., Wang, Y., Li, X., Wang, M., et al. (2023). Pt-Loaded Nb-W Metal Composite Oxide for Selective Cleavage of Secondary C-O Bonds. Small. doi:10.1002/smll.202304612

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Front cover (n.d.). Materials Advances, 4(8), 1787. doi:10.1039/d3ma90029k

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Richardson, T., Vijayaraghavan, R. K., McNally, P. J., & Sofianos, M. V. (2023). The effect of SiC additives on the cycling performance of CaCO<inf>3</inf> when used as a high-temperature thermal battery. Journal of Alloys and Compounds, 934. doi:10.1016/j.jallcom.2022.167844

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Anwar, R., Navrátil, J., Vijayaraghavan, R. K., McNally, P. J., Otyepka, M., Blonski, P., & Sofianos, M. V. (2023). Upcycling natural Limestone waste for thermochemical energy storage by utilising tailored CaZrO<inf>3</inf> nanoadditives. Materials Advances, 4(8), 1905-1915. doi:10.1039/d2ma01083f

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Mr Michael Stocker

Myslinska, M., Stocker, M. W., Ferguson, S., & Healy, A. M. (2023). A Comparison of Spray-Drying and Co-Precipitation for the Generation of Amorphous Solid Dispersions (ASDs) of Hydrochlorothiazide and Simvastatin. Journal of Pharmaceutical Sciences, 112(8), 2097-2114. doi:10.1016/j.xphs.2023.02.012

Available Online
 

Stocker, M. W., Tsolaki, E., Harding, M. J., Healy, A. M., & Ferguson, S. (2023). Combining Isolation-Free and Co-Processing Manufacturing Approaches to Access Room Temperature Ionic Liquid Forms of APIs. Journal of Pharmaceutical Sciences, 112(8), 2079-2086. doi:10.1016/j.xphs.2023.01.030

Available Online
 
Dr Eoin Syron

Ekhtiari, A., Flynn, D., & Syron, E. (n.d.). Green Hydrogen Blends with Natural Gas and Its Impact on the Gas Network. Hydrogen, 3(4), 402-417. doi:10.3390/hydrogen3040025

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Sameti, M., & Syron, E. (2022). 100% renewable industrial decarbonization: Optimal integration of solar heat and photovoltaics. Smart Energy, 8. doi:10.1016/j.segy.2022.100087

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Professor Ravindranathan Thampi

Paiva, A. E., Paul Guin, J., Vasquez, J. F. B., Thampi, K. R., Sullivan, J. A., Borsagli, F. G. L. M., & Morris, M. A. (2023). Degradation of an antibiotic via a photo-Fenton process on block copolymer-nanopatterned iron oxide coated substrates. Chemical Engineering Journal, 466. doi:10.1016/j.cej.2023.142925

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