Maicon Delarmelina
Postdoctoral Research Associate (with Prof Richard Catlow)
Overview
I attained my PhD in 2018 from Fluminense Federal University, Rio de Janeiro, Brazil. Shortly after, I was granted a Post-Doctoral Fellowship in the same group by the Carlos Chagas Filho Foundation for Research Support of the State of Rio de Janeiro (FAPERJ) to investigate new Frustrated Lewis Pairs containing N-heterocyclic carbenes for the activation of small molecules and hydrogenation of CO2. In February 2019 I joined the group of Prof Richard Catlow at Cardiff University as a Post-Doctoral Research Associate and I am currently investigating by state-of-the art DFT calculations new zirconia-based catalyst for upgrading bio-oils obtained from hydrothermal treatment of wastewater solids. The main goal of this project is to develop more efficient catalytic systems for the production of biofuels and added-value chemicals from wastewater biomass. I have experience in the application of molecular modelling for mechanistic investigation of organic reaction, namely naphthoquinone derivatives with potential cytotoxic activity, as well as for the design of new homogeneous and heterogeneous catalysts for applications in organic synthesis and environmentally relevant chemical transformations.
Biography
Publications
2022
- Delarmelina, M., Carneiro, J. W. d. M., Catlow, C. R. A. and Bühl, M. 2022. Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds. Catalysis Communications 162, article number: 106385. (10.1016/j.catcom.2021.106385)
- Delarmelina, M. and Catlow, C. R. A. 2022. Cation-doping strategies for tuning of zirconia acid?base properties. Royal Society Open Science 9(2), article number: 211423. (10.1098/rsos.211423)
2021
- Delarmelina, M., Deshmukh, G., Goguet, A., Catlow, C. R. A. and Manyar, H. 2021. Role of sulfation of zirconia catalysts in vapor phase ketonization of acetic acid. Journal of Physical Chemistry C 125(50), pp. 27578-27595. (10.1021/acs.jpcc.1c06920)
- Diniz Lessa, M., Fajardo, J. R. D., Delarmelina, M. and Carneiro, J. W. d. M. 2021. A DFT study on the mechanism for polymerization of δ-valerolactone initiated by N-heterocyclic carbene (NHC) catalysts. Molecular Catalysis 515, article number: 111896. (10.1016/j.mcat.2021.111896)
- Evangelista, T. C. S. et al. 2021. Influence of temperature for the azide displacement in benzodiazepine derivatives: Experimental and DFT study of competing SN1, SN2 and double SN2 reaction pathways. Tetrahedron Letters 68, article number: 152937. (10.1016/j.tetlet.2021.152937)
2020
- Westphal, R. et al. 2020. Synthesis and evaluation of corrosion inhibiting activity of new molecular hybrids containing the morpholine, 1,4-naphthoquinone, 7-chloroquinoline and 1,3,5-triazine cores. Advances in Chemical Engineering and Science 10(4), pp. 378-398. (10.4236/aces.2020.104024)
- Delarmelina, M., Ferreira, S. B., da Silva, F. d. C., Ferreira, V. F. and Carneiro, J. W. d. M. 2020. Hetero-Diels–Alder reactions of quinone methides: the origin of the α-regioselectivity of 3-methylene-1,2,4-naphthotriones. Journal of Organic Chemistry 85(11), pp. 7001-7013. (10.1021/acs.joc.0c00215)
- Delarmelina, M., Quesne, M. G. and Catlow, C. R. A. 2020. Modelling the bulk properties of ambient pressure polymorphs of zirconia. Physical Chemistry Chemical Physics 22(12), pp. 6660-6676. (10.1039/D0CP00032A)
2019
- Lemos, B. C., Gilles, V., Gonçalves, G. R., de Castro, E. V. R., Delarmelina, M., Carneiro, J. W. d. M. and Greco, S. J. 2019. Synthesis, structure-activity relationship and evaluation of new non-polymeric chemical additives based on naphthoquinone derivatives as wax precipitation inhibitors and pour point depressants to petroleum. Fuel 220, pp. 200-209. (10.1016/j.fuel.2018.01.121)
- Delarmelina, M. et al. 2019. α‐ and β‐ Lapachone isomerization in acidic media: Insights from experimental and implicit/explicit solvation approaches. ChemPlusChem 84(1), pp. 52-61. (10.1002/cplu.201800485)
2017
- Delarmelina, M., Marelli, E., de M.Carneiro, J. W., Nolan, S. P. and Bühl, M. 2017. Mechanism of the catalytic Carboxylation of alkylboronates with CO2 using Ni−NHC complexes: a DFT study. Chemistry - A European Journal 23(59), pp. 14954-14961. (10.1002/chem.201703567)
- Delarmelina, M., Greco, S. J. and Carneiro, J. W. d. M. 2017. Single step mechanism for nucleophilic substitution of 2,3-dichloro naphthoquinone using nitrogen, oxygen and sulfur nucleophiles: A DFT approach. Tetrahedron 73(30), pp. 4363 - 4370. (10.1016/j.tet.2017.05.095)
2016
- Allochio Filho, J. F. et al. 2016. Synthesis,in vitro antifungal activity and molecular modeling studies of new mannich bases derived from lawsone. Journal of the Brazilian Chemical Society 27(11), pp. 2127-2140. (10.5935/0103-5053.20160104)
- Delarmelina, M., Ferreira, G. B., Ferreira, V. F. and de M. Carneiro, J. W. 2016. Vibrational spectroscopy of lapachol, α- and β-lapachone: Theoretical and experimental elucidation of the Raman and infrared spectra. Vibrational Spectroscopy 86, pp. 311-323. (10.1016/j.vibspec.2016.08.009)
- Carneiro, P. F. et al. 2016. Insight into and computational studies of the selective synthesis of 6H-Dibenzo[b,h]xanthenes. Journal of Organic Chemistry 81(13), pp. 5525-5537. (10.1021/acs.joc.6b00864)
2015
- Delarmelina, M. et al. 2015. Synthesis, antitumor activity and docking of 2,3-(substituted)-1,4-naphthoquinone derivatives containing nitrogen, oxygen and sulfur. Journal of the Brazilian Chemical Society 26(9), pp. 1804-1816. (10.5935/0103-5053.20150157)
- Ferreira, R. d. Q., Greco, S. J., Delarmelina, M. and Weber, K. C. 2015. Electrochemical quantification of the structure/antioxidant activity relationship of flavonoids. Electrochimica Acta 163, pp. 161-166. (10.1016/j.electacta.2015.02.164)