Joao G. De Oliveira Neto

Imperatriz, MA 65900410, Brazil

Last Updated: 09/26/2026

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Found 19 publications

Selective cytotoxicity of [Cu(theophylline)(H2O)2Cl2] complex toward cancer cells: insights from structural, spectroscopic, and molecular docking analyses.

Selective cytotoxicity of [Cu(theophylline)(H2O)2Cl2] complex toward cancer cells: insights from structural, spectroscopic, and molecular docking analyses.

Journal: RSC advances

Published: June 24, 2026

Interplay between WO6 Octahedra Rigidity and Li Sub-Lattice Flexibility in Triclinic Li2W2O7: Raman, DFT, Hirshfeld Surface, and High-Pressure Studies.

Interplay between WO6 Octahedra Rigidity and Li Sub-Lattice Flexibility in Triclinic Li2W2O7: Raman, DFT, Hirshfeld Surface, and High-Pressure Studies.

Journal: Inorganic chemistry

Published: June 15, 2026

A bioinspired manganese(II)-creatine coordination polymer with anti-inflammatory potential: supramolecular framework, periodic-DFT calculations and spectroscopic study.

A bioinspired manganese(II)-creatine coordination polymer with anti-inflammatory potential: supramolecular framework, periodic-DFT calculations and spectroscopic study.

Journal: Journal of inorganic biochemistry

Published: April 20, 2026

Pressure-induced structural instabilities in (NH4)2Cu(SO4)2(H2O)6 Tutton salt: An in situ Raman and DFPT investigation up to 6.5 GPa.

Pressure-induced structural instabilities in (NH4)2Cu(SO4)2(H2O)6 Tutton salt: An in situ Raman and DFPT investigation up to 6.5 GPa.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: April 17, 2026

Raman spectroscopic investigation of pressure-induced transitions in 5-methyluridine hemihydrate crystal.

Raman spectroscopic investigation of pressure-induced transitions in 5-methyluridine hemihydrate crystal.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: April 13, 2026

Vibrational dynamics, electronic structure, and influence of pressure on the phase stability of Sr3WO6 complex wolframate framework.

Vibrational dynamics, electronic structure, and influence of pressure on the phase stability of Sr3WO6 complex wolframate framework.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: February 27, 2026

Structural elucidation and thermal behavior of l-tyrosine hydroiodide: Hirshfeld surface analysis, halogen-dependent stability, and vibrational dynamics.

Structural elucidation and thermal behavior of l-tyrosine hydroiodide: Hirshfeld surface analysis, halogen-dependent stability, and vibrational dynamics.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: August 25, 2025

Unveiling the therapeutic potential of a Cu(II) complex with 1,10-phenanthroline and maleic acid: physicochemical characterization, DFT analysis, in silico pharmacokinetics, and evaluation of antitumor and antibacterial properties.

Unveiling the therapeutic potential of a Cu(II) complex with 1,10-phenanthroline and maleic acid: physicochemical characterization, DFT analysis, in silico pharmacokinetics, and evaluation of antitumor and antibacterial properties.

Journal: International journal of pharmaceutics

Published: August 06, 2025

Experimental and computational analyses for elucidation of structural, electronic, thermal, and vibrational properties of ethionamide crystal.

Experimental and computational analyses for elucidation of structural, electronic, thermal, and vibrational properties of ethionamide crystal.

Journal: Scientific reports

Published: June 08, 2025

Preparation and characterization of a secnidazole-mandelic acid coamorphous system: enhanced dissolution profile, antibacterial properties, and theoretical druglikeness assessment.

Preparation and characterization of a secnidazole-mandelic acid coamorphous system: enhanced dissolution profile, antibacterial properties, and theoretical druglikeness assessment.

Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences

Published: April 15, 2025

Low-temperature and pressure-induced conformational change in Tutton salt K2Ni(H2O)6(SO4)2: Structural, vibrational and magnetic properties combined with DFT calculations.

Low-temperature and pressure-induced conformational change in Tutton salt K2Ni(H2O)6(SO4)2: Structural, vibrational and magnetic properties combined with DFT calculations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: April 02, 2025

A new coamorphous ethionamide with enhanced solubility: Preparation, characterization, in silico pharmacokinetics, and controlled release by encapsulation.

A new coamorphous ethionamide with enhanced solubility: Preparation, characterization, in silico pharmacokinetics, and controlled release by encapsulation.

Journal: International journal of pharmaceutics

Published: September 21, 2024

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Last Updated: 09/26/2026