Search results for: A. A. Cerqueira

Authors: Sérgio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, António J. M.Ribeiro, Ana R. A. P. Neves, Maria J. Ramos, Pedro A. Fernandes

Abstract:

In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.

Keywords: Enzyme, Molecular Dynamics, Protein, Quantum Mechanics.

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Authors: P. S. A. Souza, M. R. C. Marques, M. M. Rigo, A. A. Cerqueira, J. L. Paiva, F. Merçon, D. V. Perez

Abstract:

Produced water (PW), which is water extracted along with oil, is the largest waste stream in the oil and gas industry. With the proper treatment, this wastewater can be used in agricultural irrigation. This study evaluated the effects the application of PW treated by electroflocculation (EF) and combined electroflocculation-reverse osmosis (EF-RO) on soil salinity and sodification parameters. Excessive sodium levels in PW treated by EF may affect soil structural stability and plant growth, and tends to accumulate in upper layers, displacing the nutrient K to deeper layers of the soil profile. PW treated by EF-RO did not promote salinization and soil sodification, indicating that this combined technique may be a viable alternative for oily water treatment aiming at irrigation use in semiarid regions.

Keywords: Electroflocculation, irrigation, produced water, reverse osmosis, soil.

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