DESIGN BIOINSPIRADO DE CORANTES

Autor: 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

Publikováno v: Química Nova, Vol 48, Iss 3 (2024)

The history of the discovery, use, and development of dyes is closely linked to the history of humanity itself. Among the first records of human civilization are cave paintings made from, e.g., fruits, plants, minerals, and insects. Over the centurie

Externí odkaz: https://doaj.org/article/f3d35a9fa59b47089796cd5e97c72a63

Study on the regioselectivity of the N-ethylation reaction of N-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

Autor: Pedro N. Batalha, Luana da S. M. Forezi, Maria Clara R. Freitas, Nathalia M. de C. Tolentino, Ednilsom Orestes, José Walkimar de M. Carneiro, Fernanda da C. S. Boechat, Maria Cecília B. V. de Souza

Publikováno v: Beilstein Journal of Organic Chemistry, Vol 15, Iss 1, Pp 388-400 (2019)

4-Oxoquinolines are a class of organic substances of great importance in medicinal chemistry, due to their biological and synthetic versatility. N-1-Alkylated-4-oxoquinoline derivatives have been associated with different pharmacological activities s

Externí odkaz: https://doaj.org/article/174efd9380d24ee6ae5eb6dd2df88cae

On the radicalar properties of graphene fragments: double-hybrid DFT and perturbation theory approaches

Autor: Gabriela Dias da Silva, Ednilsom Orestes, Michele Aparecida Salvador, Felipe C. T. Antonio, Maurício D. Coutinho-Neto, Fernando H. Bartoloni, Paula Homem-de-Mello

Publikováno v: Theoretical Chemistry Accounts. 139

The physical–chemical properties of polycyclic aromatic hydrocarbons (PAHs), molecules formed by fused carbon rings passivated by hydrogen atoms, make them attractive to several applications, including light-emitting diodes, photovoltaic cells, and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fb3151d0de22a944d179fe3e2fae6f81
https://doi.org/10.1007/s00214-020-02632-w

Structure and toxicity of clozapine and olanzapine on agranulocytosis

Autor: Cristiane Socorro Ferraz Maia, Albérico B. F. da Silva, Ednilsom Orestes, Gláucio R. Nagurniak, Carlos A. L. Barros, Luana Melo Diogo de Queiroz, Rosivaldo S. Borges

Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

The structure and toxicity relationship of the dibenzo-1,4-diazepine derivatives has been investigated using quantum chemical calculations at the density functional theory level/B3LYP with the 6-311G(d,p) basis sets by electron or hydrogen transfer c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::277762250890fc2a6050d7abe220cf95
https://doi.org/10.1007/s00044-015-1484-8

Electrochemical and Quantum Chemical Investigations of the Insecticide Fipronil

Autor: Albérico B. F. da Silva, Fabiano Okumura, Luiz Henrique Mazo, Raquel Bonatto do Amaral, Ednilsom Orestes

Publikováno v: Journal of the Brazilian Chemical Society, Volume: 27, Issue: 5, Pages: 925-932, Published: MAY 2016
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Repositório Institucional da EMBRAPA (Repository Open Access to Scientific Information from EMBRAPA-Alice)
Empresa Brasileira de Pesquisa Agropecuária (Embrapa)
instacron:EMBRAPA
Journal of the Brazilian Chemical Society v.27 n.5 2016
Journal of the Brazilian Chemical Society
Sociedade Brasileira de Química (SBQ)
instacron:SBQ

This work describes an electrochemical and quantum chemical investigation of the fipronil insecticide. Cyclic voltammetry (CV) and square wave voltammetry (SWV) experiments were performed over a graphite-polyurethane (GPU) composite electrode. The fi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c23d3fe4de25491a5ed7c43eccc0583a
http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532016000500925&lng=en&tlng=en