Developing a Machine Learning Model for Hydrogen Bond Acceptance Based on Natural Bond Orbital Descriptors

Diego Ulysses Melo, Leonardo Martins Carneiro, Mauricio Domingues Coutinho-Neto, Paula Homem-de-Mello, Fernando Heering Bartoloni

Computational-assisted Development of Molecularly Imprinted Polymers for the Detection of Synthetic Cannabinoids

Leonardo Martins Carneiro, Karen Rafaela Gonçalves Araújo, Diego Ulysses de Melo, Fernando Heering Bartoloni, Alexandre Learth Soares, Mauricio Yonamine, Paula Homem-de-Mello

Triplet states nurture the long-lived emission at room temperature of a chlorine-containing tetraphenylimidazole derivative when aggregation occurs in water/acetonitrile mixtures

Leonardo Martins Carneiro, Diego Ulysses Melo, Calvin Quessada Cabello, Paula Homem-de-Mello, Fabio Furlan Ferreira, Fernando Heering Bartoloni

Photochemistry and Photobiology, 2025

DESIGN BIOINSPIRADO DE CORANTES

Paula Homem-de-Mello, Ana Clara Gonzalez de Souza, Diêgo U. Melo, Gabriel S. Mol, Jhonathan R. De Souza, Leonardo M. Carneiro, Maíra G. Nobrega, Mateus Zanotto, Raissa Lohanna G. Q. Corrêa, Hueder P. M. de Oliveira, Fernando H. Bartoloni, Yuri A. Aoto, Mauricio D. Coutinho-Neto, Ednilsom Orestes

Química Nova, vol. 48(3), 2025

Chemiluminescence of a Firefly Luciferin Analogue Reveals that Formation of the Key Intermediate Responsible for Excited State Generation Occurs on a Fully Concerted Step

Diego Ulysses Melo, Henrique Bergonzini de Lima, Roberta Albino Reis, Andreia Boaro, Alexander Garreta Gonçalves Costa Pinto, Luiz Francisco Monteiro Leite Ciscato, Paula Homem-de-Mello, Fernando Heering Bartoloni

The Journal of Organic Chemistry, vol. 89, 2024, pp. 345-355

Evidence for the Formation of 1, 2-Dioxetane as a High-Energy Intermediate and Possible Chemiexcitation Pathways in the Chemiluminescence of Lophine Peroxides

Andreia Boaro, Roberta Albino Reis, Carolina Santana Silva, Diêgo Ulysses de Melo, Alexander Garreta Gonçalves Costa Pinto, Fernando Heering Bartoloni

The Journal of Organic Chemistry, vol. 86(9), 2021, pp. 6633-6647

Better late than never! Transition state character involved in the neutral solvolysis of an oxalic ester determined by the ionizing power of ethanol/water and methanol/water mixtures

Andressa R. Soares, Roberta A. Reis, Diêgo Ulysses de Melo, Andreia Boaro, Fernando H. Bartoloni

Journal of Molecular Liquids, vol. 316, 2020, p. 113800

The decomposition of triphenylimidazole-para -acetate follows specific base catalysis and can be conveniently followed by fluorescence

Roberta Albino Reis, Andreia Boaro, Ronaldo Barros Orfão Jr., Diêgo Ulysses de Melo, Fernando Heering Bartoloni

Luminescence, vol. 34(2), 2019, pp. 234-242

Mechanistic model for the firefly luciferin regeneration in biomimetic conditions: a model for the in vivo process?

Carla T. Salatino, Diêgo U. Melo, Ariane M. Yoshitake, Lucas S. Sgarbi, Paula Homem-de-Mello, Fernando H. Bartoloni, Luiz F. M. L. Ciscato

Organic & Biomolecular Chemistry, vol. 15(16), 2017, pp. 3479-3484