Recent Papers - Machine Learning Special Issue
Reviews/Accounts - last 5 years
Lauro S. Laurentino ; Lísia M. G. dos Santos ; Cristiane B. Silva; Ana L. R. de Barros; Pamela C. L. Thomas; Josino C. Moreira
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Keywords map of the most frequently encountered terms in articles regarding the use of silver nanoparticles as antimicrobial agents between 2014 and 2023.
Thamires Q. Froes ; Marcelo S. Castilho
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Localized protein frustration is higher around druggable hotspots, partially explaining their origin and suggesting innovative hit-to-lead strategies.
Lucas Caruso ; Thiago M. Pereira ; Arthur E. Kümmerle
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How much PROTACs (protheolysis targeting chimeras) can change the drug discovery? Since its discovery in 2001, a huge evolution has been done in terms of mechanisms, proof of concepts and design. A new PROTAC drug can be one step from the market, with ARV-471 that just entered in phase III clinical trials.
Fernanda Bongiovani; Marcos A. Ferreira-Junior ; Soraya S. Santos ; Jeanine G. Vargas ; Elizabeth I. A. Ferreira
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Relationship between drug repositioning, artificial intelligence with essential participation of human beings, generating molecules which could turn into medicines.
Mikaela L. de Souza; Graziella R. R. Franco; Larissa E. Massuda; Vanessa S. Gontijo; Claudio Viegas Jr.
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Cannabidiol (CBD) and its synthetic derivatives and analogues have been investigated for decades due to their medicinal uses as neuroprotective, anti-convulsive, antinociceptive, and anti-inflammatory, aimed at clarifying the mechanisms of action underlying their pharmacology and contribute to the development of innovative drugs.
Tania Maria H. Costa ; Eliana W. de Menezes ; Leliz T. Arenas ; Edilson Valmir Benvenutti
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Ionic silsesquioxanes, silica based hybrid polymers with amazing properties, which play important roles in the architecture of multifunctional nanostructured materials to be applied in priority areas such as health, food, and sustainable energy.
Julieth G. Herrera ; Larissa A. Rolim ; Ricardo S. Honorato ; Maria Fernanda Pimentel
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Chromatographic techniques and alternative strategies for qualitative and quantitative analysis of cannabinoids in medicinal cannabis products and cannabis extracts.
Hugo Verli ; Chris Oostenbrink
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Evolution of molecular simulations applications in drug-discovery in the past 30 years.
Gabriel Jasinski; María Florencia Martini; Albertina G. Moglioni
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This review presents the main developments in inhibitors of cruzipain/cruzain, a crucial enzyme in the life cycle of Trypanosoma cruzi, the etiological agent of Chagas disease, from the 1990s to the present.
Adenilson G. Lima; André B. Penteado; Jullyane G. de Jesus; Vanessa J. R. de Paula; Witor R. Ferraz ; Gustavo H. G. Trossini
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Workflow diagram of a structure-based virtual screening (SBVS) process showing the two approaches discussed in this work.
Júlia G. B. Pedreira ; Stefan Laufer
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This work reviews protein kinase inhibitors of the last 30 years and highlights contributions from Brazilian researchers.
The advancements in both chemistry and the biological behavior, with a focus on boron neutron capture therapy involving specific polyhedral boron clusters, are examined.
Metallocenes, "half sandwich" M-arenes and metal carbonyls are potential drugs against malaria and neglected diseases caused by trypanosomatid parasites and parasitic helminths.
Vinícius N. Rocha; Carlos M. R. Sant'Anna
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The image shows the evolution in the usage of Computer-Assisted Drug Design (CADD) methods during the last 30 years.
Pamella C. C. da Silva ; Leandro Martínez
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A bibliographical review of molecular dynamics enhanced sampling techniques for analysis of Plasmodium falciparum proteins and their implications for antibody binding.
Lucas S. Franco ; Pedro S. M. Pinheiro ; Maria Letícia C. Barbosa
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This article reviews the synthesis and biological activities of the amino-quinazoline privileged structure over the last 30 years, focusing on the last decade.
Thayná A. Bibiano; Heber Victor Tolomeu ; Pedro S. M. Pinheiro ; Carlos Alberto M. Fraga
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Enhancing the equilibrium between promiscuous and privileged structures in Medicinal Chemistry.
Igor F. L. Ferreira ; Letícia F. Magalhães ; Thaís A. S. Carvalho ; Marco A. Schiavon
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Lead-free halide double perovskites have gained importance due to their promising optoelectronic properties and the possibility of forming multiple combinations, which increases their range of applications.
Afonso S. M. M. Velez ; Paulo Pitasse-Santos ; Leonardo Freire-de-Lima ; Célio G. Freire-de-Lima ; Debora Decoté-Ricardo ; Marco E. F. de Lima
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Piperine is a natural amide with an interesting chemical structure and promising activities against several parasitic diseases. It is a renewable natural product easily extracted from black pepper, one of the most important spices used worldwide.
Cristine S. de Oliveira ; Fernando A. Sigoli ; Italo O. Mazali
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Synthesis of pure, doped and core@shell oxide nanoparticles through a metalorganic layer-by-layer deposition method applied to porous host matrices, where the fine size control allows property tuning.
Fernando Galembeck ; Leandra P. Santos ; Thiago A. L. Burgo ; Andre Galembeck
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The ubiquitous non-zero electric potentials in our world profoundly impact their properties, producing unexpected chemical reactions and other surprising phenomena. So, when and where does the electroneutrality principle which "expresses the fact that all pure substances carry a net charge of zero" actually apply?
Henrique B. de Lima ; Gustavo M. das Neves ; Itamar L. Gonçalves ; Aloir A. Merlo ; Vera L. Eifler-Lima
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A bibliometric analysis was performed to map the research performed in Brazil on multicomponent reactions over a period of 30 years through a literature search.
Saulo T. Abreu ; Luis Gabriel V. Gelves ; Eliezer J. Barreiro ; Lídia M. Lima
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Nitroaromatic as drug: Food and Drug Administration (FDA) approval, mechanisms of bioactivation, metabolism and toxicity, and synthesis of nitroaromatic fragment by nitration and amine oxidation.
Vinícius D. Silva; Eliton S. Medeiros; Roberto M. Torresi
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The image depicts the possible applications of the nanofibers that could involve energy storage and conversion, environmental remediation, and catalysis.
Lucas S. Franco; Rodolfo C. Maia; Eliezer J. Barreiro
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This account describes the LASSBio Chemical Library diversity and a virtual screening against feline McDonough sarcoma-like tyrosine kinase 3 (FLT3).
Diego G. R. Voris ; Samir F. A. Cavalcante ; Caio V. N. Borges ; Antonio L. S. Lima
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In this short review, we present how carbamates can be seen as "good guys" by their use in medicine (hope), or "bad guys", due to their misuse in pesticides and as chemical weapons (death).
Guilherme S. Caleffi ; Alcides J. M. da Silva ; Chaquip Daher Netto ; Jorge L. O. Domingos ; Eduardo J. Salustiano ;
Paulo R. R. Costa
Modified flavonoids were synthesized and showed potent antiproliferative and antiparasitic activity in vitro and in vivo, and antiviral activity in vitro.
Cláudio E. Rodrigues-Santos ; Maurício R. de Brito; Aurea Echevarria
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Mini review highlighting amidine derivatives: principal synthesis methods and anti-Leishmania activity results.
Thiago F. da Costa ; Josie B. B. Carvalho ; Rizzieri Pedruzzi ; Taciana T. A. Albuquerque; Eduardo M. Martins
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This critical review encompasses the analysis of studies from 2016 to 2023 that employ the Community Multiscale Air Quality Model (CMAQ) model for ozone simulation.
Antonio Fernando V. C. Braga; Marcelino S. do Rosário; Jakson Breno N. Gomes; Cristina de A. Monteiro; Flavia A. C. Farias; Edson Rodrigues Filho; Antônio José Cantanhede Filho
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Mangroves are highly productive ecosystems distributed in tropical and subtropical regions in the world. Many different species of fungi can be isolated from this ecosystem. These fungi can be a rich source of useful antimicrobial compounds.
Tainá M. Arrospide; Lucas H. N. Sousa; Marcela C. N. Diniz; Fabrício G. Menezes; Renata M. Araújo
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Spectroscopic, chemical and biological data published between 1965-2022 on acylphloroglucinol derivatives are compiled in this review.
Karla V. L. Lima; Jany H. F. de Jesus; Raquel F. P. Nogueira
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The occurrence of antibiotics in the Brazilian aqueous matrix was carefully revised. The publication of 24 articles on this occurrence revealed the detection of 23 antibiotics in 5 aquatic matrices, ranging from 0.13 to 37300 ng L−1.
Natália N. Kato; Gabriel S. Arini; Ricardo Roberto Silva; Maria Elina Bichuette; José Augusto P. Bitencourt; Norberto P. Lopes
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The cave ecosystem hosts a high diversity of microorganisms with complex strategies to survive in limited environmental conditions. Here, we highlight the biology and chemistry of cave microbiomes with multi-omics perspectives.
Jonatas O. S. Silva ; Honnara S. Granja ; José F. dos Santos ; Lisiane S. Freitas ; Eliana M. Sussuchi
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We discuss the use of biochars and hydrochars in electrodes applied in the electrochemical sensing and degradation of target compounds.
Douglas D. S. Oliveira; Thibault J. W. Jacques Dit Lapierre ; Fernanda C. Silva; Ieda V. Cunha; Rafael A. C. Souza;
Patrícia A. Matos ; Gustavo M. Almeida; Carolina G. Oliveira ; Thaise G. Araújo; Tayana M. Tsubone ; Celso O. Rezende Jr.
This review presents the principal aspects of the drug discovery process targeting breast cancer and highlights the most promising derivatives of caged xanthones and thiosemicarbazones explored in conventional therapy. Also, it presents details of photodynamic therapy and the action of photosensitizers as an alternative therapy for breast cancer.
Brenno Amaro D. Neto ; Marcos N. Eberlin
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Scientific writing from first words to publication, as well as its challenges, including ethical aspects, are presented and discussed in this opinion manuscript.
Carmen L. Cardoso ; Marcela C. de Moraes ; Quezia B. Cass
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Two-dimensional liquid chromatography (2D-LC) for multiple applications.
Olívia B. O. Moreira ; Bruna M. Berlande; Jéssica C. Q. de Souza ; João Marcos B. Candido ; Lauren H. Jaeger ;
Luiz Henrique C. Adriano; Marco Antônio D. A. e Brito; Maria Patrícia do Nascimento ; Patrícia A. Geraldo; Paula R. Chellini ;
Marcone Augusto L. de Oliveira
Medicine has been improving the assessment of health-related biomarkers towards precise diagnosis. In this context, we discuss how capillary electromigration techniques stand out as an alternative for the development of new high-efficient cost-effective diagnostic assays.
Marcelo H. R. Carvalho; Giovanni W. Amarante ; Pedro P. de Castro
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A general overview on synthetic developments on stereoselective methodologies for Strecker, Mannich, Passerini and Ugi reactions are hereby presented.
Nelson Durán ; Wagner J. Fávaro ; Silvana Alborés ; Thyerre S. da Costa ; Ljubica Tasic
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Biogenic silver nanoparticles are synthesized through silver(I) reduction promoted by biomolecules. The one-pot biosynthetic process leads to stable silver nanoparticle (AgNP) colloids with surfaces capped by some of the biomolecules that also took part in their synthesis.
Karine N. de Andrade ; José Renato D. Fajardo ; Caio A. Leal ; José Walkimar M. Carneiro ; Rodolfo G. Fiorot
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Computational chemistry is a valuable tool for understanding reaction mechanisms and supporting experiments in several areas, such as organic synthesis, natural products (and biochemical transformations), and systems of environmental interest.
Shakeel Zeb; Javier E. L. Villa; Ademar Wong; Sabir Khan ; Sajjad Hussain; Maria D. P. T. Sotomayor
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Graphically representation of quantum dots (QDs) coated molecular imprinted polymer sensor for the determination of emerging and classical pollutants. Nanoscale QD materials are suitable for fluorescence analysis. The modification with quantum dots provides many advantages such as rapid detection, highly selective and easily operational.
Thayssa S. F. Fagundes ; Thatyana R. A. Vasconcelos ; Fernando M. dos Santos Junior ; Bia F. Rajsfus ; Diego Allonso ; José C. J. M. D. S. Menezes ; Alessandra L. Valverde ; Vinicius R. Campos
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The review highlights the different studies on marine natural products with antiviral and larvicidal activity against Dengue, Zika and Chikungunya and their main vector Aedes aegypti.
Samantha C. H. Rodrigues; Helvécio C. Menezes; Dawidson A. Gomes; Zenilda L. Cardeal
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Workflow of gas chromatography coupled to mass spectrometry-based metabolomics analysis of damage skin.
Thainara B. Massa ; Djéssica T. Raspe ; Mirian C. Feiten ; Lúcio Cardozo-Filho ; Camila da Silva
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The production, chemical composition and potential applications of fusel oil were demonstrated.
Lilian L. N. Guarieiro; Michelle J. C. Rezende; Willams T. Barbosa; Gisele O. da Rocha; Pedro Afonso P. Pereira; Daniella R. Fernandes; Wilson A. Lopes; Claudio J. A. Mota ; Jailson B. de Andrade
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The circular economy and circular chemistry play an important role in the challenges and issues related to sustainability.
Fernanda G. Barbosa; Daylin R. Ribeaux; Thiago Rocha ; Rogger A. M. Costa; Ramiro R. Guzmán; Paulo R. F. Marcelino ; Talita M. Lacerda; Silvio S. da Silva
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Biosurfactants are molecules of animal, vegetable and microbial origin with various industrial applications. Animal and plant biosurfactants are obtained by extractive methods. Microbial biosurfactants are extracelular metabolites and can be obtained by fermentation processes in the biorefineries contexts.
Lilian L. N. Guarieiro; Jeancarlo P. dos Anjos; Luciana A. da Silva ; Alex Á. B. Santos; Ewerton E. S. Calixto; Fernando L. P. Pessoa; Jose L. G. de Almeida; Miguel Andrade Filho; Flavio S. Marinho ; Gisele O. da Rocha; Jailson B. de Andrade
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Green is the color of the future.
Alegre N. S. Cadeado; Caio C. S. Machado; Geandre C. Oliveira ; Daniela A. S e Silva; Rodrigo A. A. Muñoz ; Sidnei G. Silva
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Internet of things (IoT) can play key role to attend the sustainable development goals. The association of IoT with analytical chemistry enables the real-time analytes monitoring, that assess impacts of human activities on environmental and human health.
Flávio V. C. Kock ; Luiz A. Colnago
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This review provides basic theory of time domain nuclear magnetic resonance (TD-NMR) relaxometry of paramagnetic cations in solution and important applications in electrochemistry, analytical and inorganic chemistry.
Patricia G. Ferreira ; Alcione S. de Carvalho ; Wilson C. Santos ; Luana S. M. Forezi ; Fernando C. da Silva ;
Vitor F. Ferreira
This review intends to show how the challenges for the production of some low molecular weight drugs produced by synthetic routes that involve at least one biotechnological step using microorganisms or enzymes were faced.
Theodora W. Von Zuben; Daniel E. B. Moreira; Rafael L. Germscheidt; Rafael G. Yoshimura ; Daniel S. Dorretto; Ana B. S. de Araujo; Airton G. Salles Jr. ; Juliano A. Bonacin
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In this review, we present an overview of the uses of hydrogen and its importance to a sustainable society.
Danilo Y. de Albuquerque; Wystan K. O. Teixeira; Senthil Narayanaperumal; Ricardo S. Schwab
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The solvents derived from renewable raw materials can be used as an alternative green media for palladium-catalyzed carbonylation reactions, offering a promising and alternative way to construct a wide array of organic molecules carrying a carbon-oxygen double bond.
Nicolas S. dos Anjos ; Luiz S. Longo Jr.
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In this review contribution we discuss the use of sulfonic acid-functionalized task-specific ionic liquids as sustainable and reusable catalysts for multicomponent reactions applied to the synthesis of heterocycles and related compounds.
Andreia N. Fernandes ; Crislaine Bertoldi; Larissa Z. Lara; Jéssica Stival; Nortom M. Alves; Pedro M. Cabrera; Marco T. Grassi
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A systematic review analyzing 196 studies from 16 territorials in Latin America with information about the current state of knowledge regarding the abundance, distribution, and associated impact of microplastics in different matrices was performed.
Gustavo R. Gomes ; Renan R. Mattioli ; Julio Cezar Pastre
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Amino acid-based deep eutectic solvents (DES) as a greener methodology for biomass fractionation and sugars chemical conversion to high value-added compounds.
Pâmella S. Cordeiro ; Ingrid C. Chipoline ; Ruan C. B. Ribeiro ; David R. Pinho; Vitor F. Ferreira ; Fernando C. da Silva ; Luana S. M. Forezi ; Vanessa Nascimento
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In this review, the methods for the production of selenium-quinones and tellurium-quinones and their biological applications until 2021 are highlighted.
Ottávio R. Carmignano; Sara S. Vieira ; Ana Paula C. Teixeira; Fernando S. Lameiras; Paulo Roberto G. Brandão; Rochel M. Lago
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Iron ore tailings (IOT) are mainly composed of iron oxides, silica, and other minerals such as kaolinite. The IOT can be used for different applications related to the civil construction and a variety of technological applications.
Andressa V. Müller ; Wendel M. Wierzba; Mariana N. Pastorelli; André S. Polo
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The interfacial electron transfer reactions that take place in dye-sensitized TiO2 molecular devices for solar energy conversion govern their efficiency. This review visits general aspects of these reactions.
Mayra Beltrán-Pineda; Diana Peña-Solórzano ; César Augusto Sierra
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This review provides an overview and update regarding the use of some nanomaterials as biosensors, which have shown attractive results over the last few years.
Andrea N. L. Batista ; Bianca R. P. Angrisani; Maria Emanuelle D. Lima; Stephanie M. P. da Silva; Vitória H. Schettini ; Higor A. Chagas; Fernando M. dos Santos Jr.; João M. Batista Jr. ; Alessandra L. Valverde
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This review highlights the increase in the number of absolute configuration reassignments of natural products over the last decade and describes the main approaches used both in the original incorrect assignments and stereochemical corrections. It also provides the readers with critical information for the choice of appropriate methods for unambiguous stereochemical determination.
Michelle J. C. Rezende ; Ana Lúcia de Lima; Bárbara V. Silva; Claudio J. A. Mota; Ednildo A. Torres; Gisele O. da Rocha; Ingrid M. M. Cardozo; Kênia P. Costa; Lilian L. N. Guarieiro; Pedro A. P. Pereira ; Sabrina Martinez; Jailson B. de Andrade
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Worldwide use and advances in biodiesel research over the past 15 years are reported in this review.
Renato L. Carvalho; Gleiston G. Dias; Cynthia L. M. Pereira; Pintu Ghosh; Debabrata Maiti ; Eufrânio N. da Silva Júnior
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A C-H activation process represents one of the most advanced tool in the field of organic synthesis nowadays, and it requires knowledge that should be studied and learned. Therefore, carrying out a C-H activation reaction in the right direction, following the right steps, can improve its performance and guarantee plausible results.
Vinicius C. Costa; Diego V. Babos; Jeyne P. Castro; Daniel F. Andrade; Raimundo R. Gamela; Raquel C. Machado ; Marco A. Sperança; Alisson S. Araújo; José A. Garcia; Edenir R. Pereira-Filho
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Several calibration strategies have been reported in the literature over the last few years to improve quantitative analysis using laser-induced breakdown spectroscopy (LIBS).
Ronaldo C. Amaral ; Kassio P. S. Zanoni ; Lais S. Matos ; Neyde Y. Murakami Iha
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This review manly focusses on development of energy conversion devices, such as dye-sensitized solar cells, solar fuels, photosensors and light-emitting devices by outlining investigations carried out at the Laboratory of Photochemistry and Energy Conversion (LFCE) in the University of São Paulo, including researches that led to technological innovation.
Lia B. S. Balestrin ; Watson Loh
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This review discusses colloidal aspects of crude oil asphaltenes and their impact on oil production issues.
Ivo F. Teixeira ; Jhon Quiroz; Mauricio S. Homsi; Pedro H. C. Camargo
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We review semiconductor photocatalysts for the H2 evolution reaction that have displayed the best reported activities and quantum efficiencies.
Ottavio Raul D. R. Carmignano; Sara S. Vieira; Paulo Roberto G. Brandao; Alexandre C. Bertoli; Rochel M. Lago
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The serpentine is a versatile mineral family rich in Mg silicate with several polymorphic phases with unique physicochemical properties and potential applications.
Goreti Pereira; Camila A. P. Monteiro; Gabriela M. Albuquerque; Maria I. A. Pereira; Mariana P. Cabrera; Paulo E. Cabral Filho; Giovannia A. L. Pereira; Adriana Fontes; Beate S. Santos
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In this review we present the state of the art of (bio)conjugation strategies applied to semiconductor quantum dots for biomedical / bioanalytical purposes.
Shirley Nakagaki ; Kelly A. D. F. Castro; Maria da Graça P. M. S. Neves; Maria do Amparo Faustino; Yassuko Iamamoto
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The aim of this review is to provide insight into porphyrin chemistry research in Brazilian institutions, especially that involving catalytic purposes, and discuss some advances achieved in the topic with the collaboration of researchers from the Universidade de Aveiro, Portugal.
Carolina S. Silva; André Braz; Maria Fernanda Pimentel
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The symbiotic relation between vibrational spectroscopy and chemometrics in forensic chemistry contexts.
Hery Mitsutake; Ronei J. Poppi; Márcia C. Breitkreitz
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Representation of a Raman imaging experiment: the spectral array of data and the univariate/multivariate data treatment for the generation of chemical images.
Mary Anne S. Lima ; Maria da Conceiçao F. de Oliveira; Antônia T. A. Pimenta; Paula K. S. Uchôa
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This review celebrates the centenary of chemical investigations on Aspergillus niger. Structurally diverse secondary metabolites produced by this fungus, besides its potential on selective biotransformation of terpenes, are presented.
Emilli C. G. Frachini ; Denise F. S. Petri
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Magneto-responsive hydrogels are important platforms for biomedical applications, such as drug delivery, tissue engineering and cancer therapy, and for environmental applications.
Formation and biological effects of deoxyribonucleic acid (DNA) adducts from endogenous and exogenous aldehydes.
Igor A. Fioravante; Ronaldo S. Nunes; Heloisa A. Acciari; Eduardo N. Codaro
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Illustration of the cross section of an oil pipeline showing the scale formed by sweet corrosion.
Ananda S. Antonio ; Gabriel D. Fonseca; Alvaro J. B. Mendes; Larissa S. M. Wiedemann; Valdir F. Veiga-Junior
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Capsaicin, piperine, gingerol and other pungent natural compounds are technologically developed bioproducts for civilian's self-defense proposes.
Analía V. Gómez; Atanu Biswas ; Carmen C. Tadini; Roselayne F. Furtado; Carlucio R. Alves; Huai N. Cheng
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Natural deep eutectic solvents (NADES) comprise a new family of agro-based, eco-friendly reaction media that can replace traditional organic solvents in polymerization and polymer reactions. A review of the current progress in this exciting new field is given in this article.
Nathalia B. D. Lima ; Gerd B. Rocha; Ricardo O. Freire; Alfredo M. Simas
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This review on the RM1 model presents improvements to the methodology as well as a wide range of its applications to theoretical, organic, physical, analytical, and inorganic chemistry, along with their interfaces with medicine, biology, and materials science.
Senzhi Zhao; Christiana N. Teijaro; Heng Chen; Gopal Sirasani; Shivaiah Vaddypally; Owen O'Sullivan; Michael J. Zdilla; Graham E. Dobereiner ; Rodrigo B. Andrade
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Concise syntheses of bis-Strychnos alkaloids (-)-sungucine, (-)-isosungucine, and (-)-strychnogucine B have been accomplished from (-)-strychnine. Computational chemistry was employed to rationalize the regiochemical course of key transformations therein.
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Joao B. P. Soares ; Fernanda L. Motta
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Typical water-based oil sands extraction process in northern Alberta, Canada and macroscopic schematic for settling tests on mature fine tailings (MFT) after treatment with polymer flocculants.
Online version ISSN 1678-4790 Printed version ISSN 0103-5053
Journal of the Brazilian Chemical Society
JBCS Editorial and Publishing Office
University of Campinas - UNICAMP
13083-970 Campinas-SP, Brazil
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