Recent Submissions

  • Pushing the boundaries of VCD spectroscopy in natural product chemistry 

    Vermeyen, Tom; Batista, Andrea Nastri de Luca; Valverde, Alessandra Leda; Herrebout, Wouter; Batista Junior, João Marcos [UNIFESP] (RSC, 2023-05-11)
    Vibrational circular dichroism (VCD) is one of the most powerful techniques to assess the stereochemistry of chiral molecules in solution state. The need for quantum chemical calculations to interpret experimental data, ...

  • Bionanomining of copper-based nanoparticles using pre-processed mine tailings as the precursor 

    Brandão, Igor Yannick Vasconcellos; Macedo, Erenilda Ferreira de; Silva, Pedro Henrique Barboza de Souza; Batista, Aline Fontana; Petroni, Sérgio Luis Graciano; Gonçalves, Maraisa [UNIFESP]; Conceição, Katia [UNIFESP]; Trichês, Eliandra de Sousa [UNIFESP]; Tada, Dayane Batista [UNIFESP]; Maass, Danielle [UNIFESP] (Elsevier, 2023-03-28)
    The bacterial synthesis of copper nanoparticles emerges as an eco-friendly alternative to conventional techniques since it comprises a single-step and bottom-up approach, which leads to stable metal nanoparticles. In this ...

  • Plakilactone J: Structure and absolute configuration 

    Batista, Andrea Nastri de Luca; Brito, Mateus de Freitas; Batista Junior, João Marcos [UNIFESP]; Valverde, Alessandra Leda (Elsevier, 2022-11-12)
    The chemical investigation of the Brazilian marine sponge Plakortis angulospiculatus led to the isolation of the new peroxide-derived polyketide plakilactone J (1). The structure of (-)-1 was established by means of HRMS ...

  • Forecast of the occupancy of standard and intensive care unit beds by COVID-19 inpatients 

    Paiva, Henrique Mohallem [UNIFESP]; Afonso, Rubens Junqueira Magalhães; Sanches, Davi Gonçalves [UNIFESP] (IEEE, 2022-07-22)
    This paper proposes a methodology to forecast the number of hospital beds required by COVID-19 inpatients in mild and in critical conditions. To that end, a compartmental model is extended to include the number of critical ...

  • Using low Lift-to-Drag spacecraft to perform upper atmospheric Aero-Gravity Assisted maneuvers 

    Murcia Piñeros, Jhonathan [UNIFESP]; Moraes, Rodolpho Vilhena de [UNIFESP]; Prado, Antonio F. Bertachini de Almeida (Elsevier, 2022-05-21)
    The Gravity Assisted Maneuver has been applied in lots of space missions, to change the spacecraft heliocentric velocity vector and the geometry of the orbit, after the close approach to a celestial body, saving propellant ...

  • Applying the perturbative integral in aeromaneuvers around Mars to calculate the cost 

    Piñeros, Jhonathan Murcia [UNIFESP]; Prado, Antônio Fernando Bertachini de Almeida; Moraes, Rodolpho Vilhena de [UNIFESP]; Santos, Walter Abrahão dos (Springer Nature, 2022-03-23)
    The perturbative integral method was applied to quantify the contribution of external forces during a specific interval of time in trajectories of spacecraft around asteroids and under the Luni-solar influence. However, ...

  • Conformational preferences induced by cyclization in orbitides: a vibrational CD study 

    Yokomichi, Maria Augusta Saemi [UNIFESP]; Silva, Hanyeny R. L.; Brandao, Lorenza E. V. N.; Vicente, Eduardo Festozo; Batista Junior, João Marcos [UNIFESP] (Royal Society of Chemistry (RSC), 2022-01-18)
    Orbitides are bioactive head-to-tail natural cyclic peptides from plant species. Their bioactivity is intrinsically related to the main conformations adopted in solution, whose correct characterization represents an important ...

  • How Biomining has been Used to Recover Metals from Ores and Waste? A Review 

    Brandão, Igor Yannick das Neves Vasconcellos [UNIFESP]; Munakata, Atílio Akihiro [UNIFESP]; Lourenço, Luís Antonio; Maass, Danielle [UNIFESP] (Damir Bucković, 2021-11-18)
    The recovery of metals present in low-grade ores and waste of electrical and electronic equipment (WEEE) is essential for the development of new technologies and the supply of existing production chains. Conventional ...

  • Biosynthesis of iron oxide nanoparticles from mineral coal tailings in a stirred tank reactor 

    Maass, Danielle [UNIFESP]; Valério, Alexsandra; Lourenço, Luís Antonio; Oliveira, Débora de; Hotza, Dachamir (Gamini Senanayake, 2019-01-23)
    Chemical oxidation of mineral coal tailings is one of the most important environmental issues during the lifetime of a mine. The presence of sulfur compounds favors the occurrence of metal acid leaching, which contaminates ...

  • A low‑cost brewery waste as a carbon source in bio‑surfactant production 

    Corrêa Nazareth, Talita; Planas Zanutto, Conrado; Maass, Danielle [UNIFESP]; Ulson de Souza, Antônio Augusto; Guelli Ulson de Souza, Selene Maria de Arruda (Dirk Weuster-Botz, 2021-06-22)
    This work aims to produce bio-surfactant using a brewery waste (trub) as a strategy to reduce production costs related to the substrate, as well as to provide an eco-friendly destination for this residue. Trub is obtained ...

  • Bioconversion of low-cost brewery waste to biosurfactant: an improvement of surfactin production by culture medium optimization 

    Corrêa Nazareth, Talita; Planas Zanutto, Conrado; Maass, Danielle [UNIFESP]; Ulson de Souza, Antônio Augusto; Guelli Ulson de Souza, Selene Maria de Arruda (Colin Webb, 2021-05-11)
    Trub is the second-largest residue from brewing industry (250 thousand tons/year) and, due to the presence of high amounts of carbon and nitrogen, it is a potential source of reducing sugars and nitrogen for biological ...

  • COVID-19 trend analysis in mexican states and cities 

    Paiva, Henrique Mohallem [UNIFESP]; Afonso, Rubens Junqueira Magalhães; Sanches, Davi Gonçalves [UNIFESP]; Pelogia, Frederico José Ribeiro [UNIFESP] (Institute of Electrical and Electronics Engineers (IEEE), 2021-12-09)
    This paper presents a trend analysis of the COVID-19 pandemics in Mexico. The studies were run in a subnational basis because they are more useful that way, providing important information about the pandemic to local ...

  • Vibrational circular dichroism for the assignment of absolute configuration of natural products in Brazil 

    Batista, Andrea Nastri de Luca; Santos Junior, Fernando Martins dos; Valverde, Alessandra Leda; Batista Junior, João Marcos [UNIFESP] (Springer, 2021-12-02)
    The determination of the absolute configuration of chiral bioactive natural products is a crucial step in their structural characterization. Several well-established techniques, such as X-ray crystallography, stereo-controlled ...

  • Study of the COVID-19 pandemic trending behavior in Israeli cities 

    Paiva, Henrique Mohallem [UNIFESP]; Afonso, Rubens Junqueira Magalhães; Sanches, Davi Gonçalves; Pelogia, Frederico José Ribeiro (International Federation of Automatic Control (IFAC), 2021-11-02)
    This paper studies the trending behavior of the COVID-19 dynamics in Israeli cities. The model employed is used to describe, for each city, the accumulated number of cases, the number of cases per day, and the predicted ...

  • Tackling Stereochemistry in Drug Molecules with Vibrational Optical Activity 

    Bogaerts, Jonathan; Aerts, Roy; Vermeyen, Tom; Johannessen, Christian; Herrebout, Wouter; Batista Junior, João Marcos [UNIFESP] (MDPI, 2021)
    Chirality plays a crucial role in drug discovery and development. As a result, a significant number of commercially available drugs are structurally dissymmetric and enantiomerically pure. The determination of the exact ...

  • Absolute Configuration Reassignment of Natural Products: An Overview of the Last Decade 

    Batista, Andrea N. L.; Angrisani, Bianca R. P.; Lima, Maria Emanuelle D.; da Silva, Stephanie M. P.; Schettini, Vitória H.; Chagas, Higor A.; dos Santos Junior, Fernando M.; Batista Junior, João Marcos [UNIFESP]; Valverde, Alessandra L. (SBQ, 2021)
    The assignment of absolute configuration (AC) is a crucial step in the structural characterization of natural products, especially for those subjected to biological assays. Methods such as X-ray crystallography, stereocontrolled ...

  • Information System for Epidemic Control: a computational solution addressing successful experiences and main challenges 

    Rocha, Guilherme Conceição; Paiva, Henrique Mohallem [UNIFESP]; Sanches, Davi Gonçalves; Fiks, Daniel; Castro, Rafael Martins; Silva, Lucas Fernando Alvarenga (Emerald Publishing Limited, 22-03-21)
    Purpose: The SARS-CoV-2 pandemic has caused a major impact on worldwide public health and economics. The lessons learned from the successful attempts to contain the pandemic escalation revealed that the wise usage of contact ...

  • A computational tool for trend analysis and forecast of the COVID-19 pandemic 

    Paiva, Henrique Mohallem [UNIFESP]; Afonso, Rubens Junqueira Magalhães; Caldeira, Fabiana Mara Scarpelli de Lima Alvarenga; Velasquez, Ester de Andrade (Elsevier, 2021-03-10)
    Purpose: This paper proposes a methodology and a computational tool to study the COVID-19 pandemic throughout the world and to perform a trend analysis to assess its local dynamics. Methods: Mathematical functions are ...

  • New multicomponent forms of the antiretroviral Nevirapine with improved dissolution performance 

    Costa, Rogeria N. [UNIFESP]; Reviglio, Ana L.; Siedler, Sana; Cardoso, Simone G.; Linck, Yamila G.; Monti, Gustavo A.; Carvalho, Alexandre M. G.; Resende, Jackson A. L. C.; Chaves, Marcelo H. C.; Rocha, Helvécio V. A.; Choquesillo-Lazarte, Duane; Infantes, Lourdes; Cuffini, Silvia L. [UNIFESP] (ACS, 2019-12-09)
    In the pharmaceutical area, some drugs exhibit physicochemical properties that adversely affect the formulation processes for bioavailability and effectiveness. Nevirapine (NVP) is an antiretroviral drug that presents low ...

  • Biomining of iron-containing nanoparticles from coal tailings 

    Maass, Danielle [UNIFESP]; Machado, Morgana de Medeiros; Rovaris, Beatriz Cesa; Bernardin, Adriano Michael; Oliveira, Débora de; Hotza, Dachamir (Springer Nature, 2019-07-10)
    Sulfur minerals originating from coal mining represent an important environmental problem. Turning these wastes into value added by-products can be an interesting alternative. Biotransformation of coal tailings into ...

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