Optimal wavelet signal compression as an efficient alternative to investigate molecular dynamics simulations: application to thermal and solvent effects of MRI probes

MA Gonçalves, LS Santos, DM Prata… - Theoretical Chemistry …, 2017 - Springer
Currently, cancer is one of the most serious problems facing humanity, and one of the most
widely used and versatile diagnostic techniques is magnetic resonance imaging (MRI) …

Soybean peroxidase immobilized on δ-FeOOH as new magnetically recyclable biocatalyst for removal of ferulic acid

TS Tavares, JA Torres, MC Silva, FGE Nogueira… - Bioprocess and …, 2018 - Springer
A significant enhancement in the catalytic performance due to enzymes immobilization is a
great way to enhance the economics of biocatalytic processes. The soybean peroxidase …

Extending NMR Quantum Computation Systems by Employing Compounds with Several Heavy Metals as Qubits

JBR Lino, MA Gonçalves, SPA Sauer, TC Ramalho - Magnetochemistry, 2022 - mdpi.com
Nuclear magnetic resonance (NMR) is a spectroscopic method that can be applied to
several areas. Currently, this technique is also being used as an experimental quantum …

Value of NMR relaxation parameters of diamagnetic molecules for quantum information processing: Optimizing the coherent phase

JB dos Reis Lino, MA Gonçalves… - Theoretical Chemistry …, 2021 - Springer
Quantum computing is the science that studies the applications of quantum mechanics in
computer science. Thus, a quantum computer is an entity which can store quantum …

Value of contrast-enhanced Magnetic Resonance Imaging (MRI) in the diagnosis of breast cancer

MA Gonçalves, BTL Pereira, CA Tavares… - Mini Reviews in …, 2022 - ingentaconnect.com
This review article aims to address the main features of breast cancer. Thus, the general
aspects of this disease have been shown since the first evidence of breast cancer in the …

A general strategy for facile synthesis of ultrathin transition metal hydroxide nanosheets

B Dong, Y Ju, X Huang, W Li, Z Ali, H Yin, F Sheng… - Nanoscale, 2019 - pubs.rsc.org
A general strategy to produce 2D transition metal hydroxide nanosheets is proposed here.
This 'green chemistry'approach requires less equipment, includes simple operation steps …

Probing kinetic and thermodynamic parameters as well as solvent and substituent effects on spectroscopic probes of 2-amino-1, 4-naphthoquinone derivatives

EP da Rocha, HA Rodrigues, EFF da Cunha… - Computational and …, 2016 - Elsevier
In the world, many diseases, such as cancer, require rapid diagnosis. Currently, it is well
known that fluorescent spectroscopy is one of the most promising methodologies to this end …

Hybrid materials based on magnetic iron oxides with benzothiazole derivatives: a plausible potential spectroscopy probe

S Corrêa, IA Rosa, GA Andolpho, LC Assis… - International Journal of …, 2021 - mdpi.com
Rare diseases affect a small part of the population, and the most affected are children.
Because of the low availability of patients for testing, the pharmaceutical industry cannot …

Comparing structure and dynamics of solvation of different iron oxide phases for enhanced magnetic resonance imaging

MA Gonçalves, LS Santos, FC Peixoto… - …, 2017 - Wiley Online Library
Cancer is a global epidemic that significantly affects all ages and socioeconomic groups.
One of the great difficulties of cancer is its diagnosis, mainly in the initial phase. Currently …

[HTML][HTML] Wavepress is a User-Friendly Toolkit for Computational Chemistry, Drug Design and Material Science

MA Gonçalves, CA Nunes, T Sáfadi… - Journal of the Brazilian …, 2023 - SciELO Brasil
Wavepress is a signal processing software that has a simple and friendly interface that can
be used by researchers, professors and students. The program uses the wavelet transform …