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Development of chemically modified electrodes (NDEs) with complexes of Schiff base for determination of cocaine: voltammetric studies and application of density functional theory (DFT)

Grant number: 16/01447-7
Support type:Scholarships in Brazil - Scientific Initiation
Effective date (Start): June 01, 2016
Effective date (End): May 31, 2017
Field of knowledge:Physical Sciences and Mathematics - Chemistry - Analytical Chemistry
Principal researcher:Marcelo Firmino de Oliveira
Grantee:Alex Soares Castro
Home Institution: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto (FFCLRP). Universidade de São Paulo (USP). Ribeirão Preto , SP, Brazil


In view of the continued presence in the news about the seizure of drugs in various places such as airports, highways, etc., and according to the reports of recent years made by the UN, where they present significant increase in the consumption of drugs in everyone, this research project proposes to study the voltammetric determination of cocaine using working electrodes, platinum Metrohm® and chemically modified carbon paste spin coating and dip coating with complexes of Schiff base Co ( II) cis salcn, Co (II) trans salcn, Cu (II) 4-Meo trans salcn and Cu (II) cis-4-Meo salcn in order to study the variation in sensitivity for the determination of cocaine through cyclic voltammetry and square wave. For this purpose will be used the pattern of cocaine (Cerilliant® 1.0 mg / ml in acetonitrile) and samples provided by Forensic Science Ribeirão Preto / SP. Still, with the objective of contributing to an unprecedented nature of work, with the possibility of technological innovation record, this project also seeks to clarify based on density functional theory (DFT) the nature of the interaction between cocaine and the chemical modifier, being able to propose models to predict the physical and chemical properties, and that the systems will be studied using semi-empirical Hamiltonian PM7 (Parametric method 7) in MOPAC2012 program. To clarify the electronic properties, the DFT method with B3LYP functional together with the polarizable basis 6-31G (d ', p') will be used. (AU)

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Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
CASTRO, ALEX SOARES; TELES DE MENEZES, MATHEUS MANOEL; ALVES, GUSTAVO MURILO; DE OLIVEIRA, MARCELO FIRMINO. Voltammetric analysis of cocaine hydrochloride at carbon paste electrode chemically modified with N,N `-ethylene-bis-(salicylideneiminato) manganese(II) Schiff base complex. Microchemical Journal, v. 153, . (16/23825-3, 16/01447-7)
CASTRO, ALEX SOARES; PINKE RODRIGUES, CAIO HENRIQUE; TELES DE MENEZES, MATHEUS MANOEL; DEFENDI DA SILVA, ANA BEATRIZ; BRUNI, ALINE THAIS; DE OLIVEIRA, MARCELO FIRMINO. Fe(II), Ni(II), Cu(II), and Co(II) salen Schiff base complexes: Proposal for a voltammetric sensor to analyze cocaine hydrochloride and its interferents. FORENSIC CHEMISTRY, v. 25, . (16/01447-7, 16/23825-3)
CASTRO, ALEX SOARES; DE AZEVEDO, LARISSA SILVA; BRUNI, ALINE THAIS; TELES DE MENEZES, MATHEUS MANOEL; DOCKAL, EDWARD RALPH; DE OLIVEIRA, OSMAIR VITAL; FERREIRA, BRUNO; DE OLIVEIRA, MARCELO FIRMINO. Cocaine electrooxidation behavior, mechanism, and kinetics on a carbon paste electrode chemically modified with a cobalt or copper Schiff base complex. FORENSIC CHEMISTRY, v. 26, . (16/23825-3, 16/01447-7)

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