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EDIÇÃO ATUAL vol. 48, No. 3, 2025



Editorial Quim. Nova 2025, 48(3), e-20250118, 1

 

A importância dos artigos de revisão na ciência: dados, tendências e impacto

Giovanna MachadoI; Jorge M. DavidII; Nelson H. MorgonIII


http://dx.doi.org/10.21577/0100-4042.20250118

Editorial

Total access: 191

Artigo Quim. Nova 2025, 48(3), e-20250037, 1-5

 

Chemical composition and biological activities of extracts and isolated compounds from the roots of Bowdichia virgilioides (Fabaceae)

Klauber Viana CardosoI; Darlan Coutinho dos SantosII; Jorge Mauricio DavidI,*


Chalcones, triterpenes, sitostenone, and very-long fatty acids were isolated from bioactive extracts of Bowdichia virgilioides’ roots.

http://dx.doi.org/10.21577/0100-4042.20250037

Publicado online: julho 12, 2024
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Quim. Nova 2025, 48(3), e-20250038, 1-5

 

Development and validation of a methodology for quantification of whey protein fractions in microparticulate ingredients

Igor L. de PaulaI; Carolina N. CunhaII; Caroline B. A. PintoI; Júlia M. P. M. VitralI; Paola F. LazzariniI; Juliana de C. da CostaII; Guilherme M. TavaresIII; Ítalo T. PerroneII; Luiz Fernando C. de OliveiraI; Rodrigo StephaniI,*


This study sought to develop an HPLC (high performance liquid chromatography) methodology to quantify the two main protein fractions of whey protein concentrates (WPC) in liquid and powdered form before and after microparticulation and at various protein concentrations. Additionally, we calculated the denaturation percentage of each protein fraction.

http://dx.doi.org/10.21577/0100-4042.20250038

Publicado online: julho 16, 2024
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Total access: 662

Quim. Nova 2025, 48(3), e-20250039, 1-9

 

Investigando o processo de criação da pintura "costureiras" de Tarsila do Amaral, de 1950, por imagens UVL, IR e MA-XRF

Elizabeth A. M. KajiyaI,*; Andre R. PimentaII; Valter S. FelixII; Nilton T. R. JuniorIII; Roberto da S. LiarthIII; Claudia R. F. de SouzaIII; Márcia BarbosaIV; Lucas C. MunizII; Robson B. dos SantosII; Leandro O. PereiraII; Elicardo A. S. GonçalvesI; Renato P. de FreitasII,*


This graphical abstract shows the ultraviolet-induced visible luminescence (UVL), infrared (IR) images and elemental maps Pb-L, Fe-K and Zn-K obtained in investigation of the painting "Costureiras", by Tarsila do Amaral, from 1950, oil on canvas, measuring 73.3 × 100.2 cm from MAC-USP Museum Collection.

http://dx.doi.org/10.21577/0100-4042.20250039

Publicado online: julho 17, 2024
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Total access: 717

Quim. Nova 2025, 48(3), e-20250040, 1-5

 

A highly sensitive moisture-resistant btex sensor based on polyaniline nanofibers

Luyu WangI,*; Jia SongII; Chunyang YuIII


The quartz crystal microbalance (QCM) gas sensor based on polyaniline nanofibers has ultra-sensitive moisture-resistant detection capability for benzene, toluene, ethylbenzene, and xylene (BTEX) vapors.

http://dx.doi.org/10.21577/0100-4042.20250040

Publicado online: julho 17, 2024
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Total access: 702

Quim. Nova 2025, 48(3), e-20250043, 1-6

 

Chromium speciation in organic fertilizers by spectrophotometry

Arthur Felipe Burg; Graciela Marini Hiedrich; Ana Barbosa Viana; Valderi Luiz Dressler*


Chromium VI is a highly toxic species and must be controlled in organic fertilizers. A simple spectrophotometric method was developed and validated for its determination.

http://dx.doi.org/10.21577/0100-4042.20250043

Publicado online: julho 25, 2024
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Total access: 520

Quim. Nova 2025, 48(3), e-20250044, 1-8

 

Major inorganic ions in bulk precipitation from coastal urban and montane atlantic forest sites in southeastern Brazil

Patricia A. de SouzaI,*; William Z. de MelloII


Bulk precipitation samples collected at two coastal urban sites (downtown Niterói and APA Guapimirim) in the Metropolitan Region of Rio de Janeiro and at two montane Atlantic Forest (at 400 and 1000 m altitude) areas within Serra dos Órgãos National Park (PARNASO) were investigated for inorganic ions.

http://dx.doi.org/10.21577/0100-4042.20250044

Publicado online: julho 30, 2024
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Total access: 490

Quim. Nova 2025, 48(3), e-20250045, 1-5

 

Removal of deposits and improvement of shelf life in CO2-rich mineral water by ozone-microbubbles

Un Hwa ChoeI,*; Jong Hyon ChoeII; Yong Jun KimI


By injecting ozone microbubbles, it can effectively remove Fe2+ in CO2-rich mineral water to prevent sediment from occurring during storage and increase shelf life.

http://dx.doi.org/10.21577/0100-4042.20250045

Publicado online: agosto 6, 2024
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Total access: 441

Quim. Nova 2025, 48(3), e-20250046, 1-11

 

Potencial de formação de ozônio na homologação veicular no bairro de Bangu, Rio de Janeiro

Renan Alves da Silva; Sergio Machado Corrêa*


Vehicles emit air pollutants, such as volatile organic compounds (VOC) and nitrogen oxides, which in the presence of sunlight, lead to the ozone formation. As ozone is the main product, it is a parameter used to control vehicular emission.

http://dx.doi.org/10.21577/0100-4042.20250046

Publicado online: agosto 6, 2024
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Total access: 487

Quim. Nova 2025, 48(3), e-20250050, 1-17

 

Estudo computacional da influência de CO2 no empilhamento-π de monômeros de coroneno substituídos com enxofre

Kelly F. P. LaeberI,*; Leticia M. PratesII; Leonardo BaptistaIII; Maurício T. M. CruzI


The reinjection of CO2 into oil reservoirs as a mitigation project can influence asphaltene molecules. These structures can aggregate, precipitate, and cause several problems in the oil industry.

http://dx.doi.org/10.21577/0100-4042.20250050

Publicado online: agosto 26, 2024
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Total access: 529

Quim. Nova 2025, 48(3), e-20250051, 1-10

 

Synthesis of palygorskite pellets for application in environmental remediation

Karla Mayara Arguelles SimõesI,II; Giullia Bertrand MarçanoII,III; Fernanda Arruda Nogueira Gomes SilvaIII; Luiz Carlos BertolinoII; Maira da Costa de Oliveira LimaIV; Lídia YokoyamaI


A new pelletization proposal allowed, from the solid state synthesis between the clay mineral palygorskite, lignin (paper pulp residue) and WAX®, the application of the composite in environmental remediation, removing 88.36% of PbII ions in 60 min and in batch system.

http://dx.doi.org/10.21577/0100-4042.20250051

Publicado online: agosto 30, 2024
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Total access: 550

Quim. Nova 2025, 48(3), e-20250052, 1-6

 

Comparative analysis of the fatty acid composition in human, cow and goat milk and their interpositional distribution in triacylglycerols

Giovanna C. A. FerreiraI; Patricia D. SantosII; Marcela S. ZangirolamiII; Alisson L. FigueiredoII; Cleverton S. FernandesII; Geovane A. R. da SilvaII; Ernani A. BassoII; Oscar O. SantosI,II,*


Comparison of fatty acids and triacylglycerols in human, cow, and goat milk as a basis for supplementation in infant formulas.

http://dx.doi.org/10.21577/0100-4042.20250052

Publicado online: setembro 4, 2024
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Total access: 480

Quim. Nova 2025, 48(3), e-20250054, 1-6

 

Conversion rate control of TiCl4 hydrolysis to prepare nano TiO2

Qianjun LeI; Shengfei YuI,*; Wusheng LuoII


By using TiCl4 as the titanium source, we systematically determined the degree of hydrolysis of Ti4+ by adding triethanolamine (C6H15NO3) dropwise. By collecting solutions at different time points and performing UV spectroscopy analysis, we plotted the Ti4+ concentration over time. This study not only reveals the hydrolysis behavior of Ti4+ under different conditions, but also provides a theoretical basis and experimental method for the precise control of the hydrolysis process of Ti4+. Such research results have important guiding significance for the preparation and application of titanium-based materials.

http://dx.doi.org/10.21577/0100-4042.20250054

Publicado online: setembro 6, 2024
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Total access: 429

Quim. Nova 2025, 48(3), e-20250081, 1-5

 

Avaliação e comparação dos sistemas coloidais de leites uht comercializados nas regiões sul e sudeste do Brasil

Gabriel de A. FarageI,*; Ítalo T. PerroneI; Rodrigo StephaniII,*; Nathalia da S. CamposII; Natália M. G. AlvesII


Ultra high temperature (UHT) processing promotes a series of heat-induced changes that can lead to colloidal destabilization of milk. Through physical-chemical analyses it is possible to evaluate and compare the colloidal systems of commercial UHT milk samples.

http://dx.doi.org/10.21577/0100-4042.20250081

Publicado online: novembro 28, 2024
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Total access: 294

Quim. Nova 2025, 48(3), e-20250082, 1-7

 

Importância dos ensaios físico-químicos no controle de qualidade de vacinas

Maria P. Blanco; Cristiane Barata Silva; Santos A. Vicentini Neto; Lara M. Catarino; Ozeias de Lima Leitão; Elizabete P. Figuerêdo; Mateus H. M. Neves; Silvana C. Jacob; Lisia M. G. dos Santos*


Established in 1973, Brazil's National Immunization Program (NIP) is one of the largest in the world. It conducts physicochemical assays, continually improving techniques to ensure vaccine safety and efficacy.

http://dx.doi.org/10.21577/0100-4042.20250082

Publicado online: dezembro 2, 2024
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Total access: 383

Quim. Nova 2025, 48(3), e-20250083, 1-5

 

Systematic design of high-performance CO gas sensor based on QCM and the impact of environmental humidity

Luyu WangI,*; Chenghai RuanII; Chunyang YuII; Jia SongIII,*


Based on the quartz crystal microbalance (QCM) platform and utilizing CeO2 nanorods as the sensitive material, a superior carbon monoxide sensor has been systematically developed for the first time.

http://dx.doi.org/10.21577/0100-4042.20250083

Publicado online: dezembro 4, 2024
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Total access: 375

Quim. Nova 2025, 48(3), e-20250084, 1-11

 

Analysis of thermal decomposition kinetics and thermal hazard assessment of nitrobenzoic acid isomers by dsc and thermogravimetric method

Xin Yi Li; Zhi Xiang Xing*; Ye Cheng Liu; Yang Cheng; An Chi Huang


The thermal decomposition of nitro compounds was analyzed by differential thermal method and thermogravimetric method, the apparent activation energy was calculated and the reaction type was verified, the molecular structure was optimized by quantum chemistry method, and the Mayer bond sequence was calculated to verify the thermogravimetric experiment results.

http://dx.doi.org/10.21577/0100-4042.20250084

Publicado online: dezembro 6, 2024
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Total access: 297

Quim. Nova 2025, 48(3), e-20250086, 1-9

 

Electrochemical corrosion evaluation of SnSb electrodeposited coatings

Ana Aline C. AlcanforI; Natalia G. SousaI; Othon S. CamposII; Alan S. de MenezesIII; Edipo S. de OliveiraIV; Hamilton F. G. de AbreuIV; Paulo N. S. CascianoI; Pedro de Lima NetoI; Adriana N. CorreiaI,*


The graph summarizes the change in the morphology of the electrodeposited coatings as a function of the percentage of Sb. The corrosion tests complement this effect in a neutral medium.

http://dx.doi.org/10.21577/0100-4042.20250086

Publicado online: dezembro 10, 2024
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Total access: 359

Quim. Nova 2025, 48(3), e-20250089, 1-8

 

A green and efficient HPLC-DAD method for the analysis of phenolic compounds in orange waste

Mirella T. Ferreira RanzetiI; Gabriela CremascoI; Daniel RinaldoI,II,*


The orange peel was treated and used for extraction by dynamic maceration with a 7:3 (v/v) EtOH/H2O solution, where a green chromatographic method was developed using bioethanol and water to identify compounds such as hesperidin.

http://dx.doi.org/10.21577/0100-4042.20250089

Publicado online: dezembro 20, 2024
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Total access: 347

Quim. Nova 2025, 48(3), e-20250090, 1-8

 

Predicción de toxicidad acuática mediante QSAR Toolbox: un enfoque in silico para la evaluación de riesgos químicos en la fracturación hidráulica

Adolfo E. Ensuncho; Diana B. Ramírez*; Jesús M. López


In this study, the aquatic toxicity of some chemical compounds present in hydraulic fracturing fluids was estimated through quantitative modeling of structure-activity relationships for the evaluation of risk potential in inland water fish: Pimephales promelas, Oreochromis niloticus and Oncorhynchus mykiss.

http://dx.doi.org/10.21577/0100-4042.20250090

Publicado online: dezembro 20, 2024
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Total access: 267

Quim. Nova 2025, 48(3), e-20250091, 1-6

 

Investigating cholagogue and choleretic activity of Peumus boldus

Raphael S. F. SilvaI,*; Marcus Vinícius H. FariaI; Joyce F. S. D. de AlmeidaII; Tanos C. C. FrançaII,III,*


Boldine alkaloid bonded to farnesoid X receptor: a possible molecular target of cholagogue and choleretic activity of Peumus Boldus.

http://dx.doi.org/10.21577/0100-4042.20250091

Publicado online: dezembro 20, 2024
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Total access: 282

Revisão Quim. Nova 2025, 48(3), e-20250047, 1-18

 

Design bioinspirado de corantes

Paula Homem-de-MelloI,*; Ana Clara Gonzalez de SouzaI; Diêgo U. MeloI; Gabriel S. MolI; Jhonathan R. De SouzaI; Leonardo M. CarneiroI; Maíra G. NobregaI; Mateus ZanottoI; Raissa Lohanna G. Q. CorrêaI; Hueder P. M. de OliveiraI; Fernando H. BartoloniI; Yuri A. AotoII; Mauricio D. Coutinho-NetoI; Ednilsom OrestesI,III


Dyes of natural origin are an inspiration for the development of new molecules. Several computational methods can be used to deepen knowledge of these compounds' photophysical properties, from methods based on quantum mechanics to machine learning strategies.

http://dx.doi.org/10.21577/0100-4042.20250047

Publicado online: agosto 13, 2024
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Total access: 498

Quim. Nova 2025, 48(3), e-20250048, 1-10

 

Garantia de qualidade em metabolômica não-alvo

Andrew M. TeixeiraI; Julia Maia Galvão de QueirozI; Bruno C. GarridoII; Antônio Jorge R. SilvaI,*; Anelize BauermeisterIII;
Ricardo M. BorgesI


A workflow for analytical procedures promoting quality control and quality assurance in untargeted metabolomics.

http://dx.doi.org/10.21577/0100-4042.20250048

Publicado online: agosto 14, 2024
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Total access: 492

Quim. Nova 2025, 48(3), e-20250085, 1-13

 

1T-MoS2: uma breve revisão das propriedades e aplicações deste polimorfo metálico do dissulfeto de molibdênio

Felipe Moreira PintoI; Felipe de Almeida La PortaII; Fernando WypychII,*


Molybdenum disulfide (MoS2) occurs in three polymorphic/polytypic structures (1T, 2H and 3R) but only the polymorph 1T and the distorted phases 1T', 1T" and T"' present metallic properties and several applications in the most diverse areas.

http://dx.doi.org/10.21577/0100-4042.20250085

Publicado online: dezembro 9, 2024
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Total access: 434

Nota Técnica Quim. Nova 2025, 48(3), e-20250041, 1-6

 

Desenvolvimento e validação do software Adsorption Kinetics Calculation (AKC) para cálculos de parâmetros cinéticos de adsorção

Karinna Gomes Oliveira RodriguesI; Patrícia X. BalizaII; Douglas A. CastroI; Paulo Vitor Brandão LealII; Douglas Henrique PereiraI,III,*


Adsorption Kinetics Calculation (AKC) is a new free, easy-to-use software that uses non-linear equations to calculate adsorption kinetics parameters with precision, fast performance and a user-friendly interface.

http://dx.doi.org/10.21577/0100-4042.20250041

Publicado online: julho 19, 2024
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Total access: 463

Quim. Nova 2025, 48(3), e-20250049, 1-7

 

WaxAlly: new software to identify acyclic lipids from gas chromatography coupled to mass spectrometry data

Lucas Paradizo Roma*; Déborah Yara A. C. Santos


Wax lipids primarily consist of aliphatic acyclic compounds, which are often misidentified by Standard Digital Libraries. WaxAlly is a new software developed to assist in identifying the mass spectra of the main classes of wax lipids.

http://dx.doi.org/10.21577/0100-4042.20250049

Publicado online: agosto 16, 2024
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Total access: 399

Educação Quim. Nova 2025, 48(3), e-20250042, 1-9

 

A argumentação em diagramas heurísticos elaborados por graduandos em química a partir da resolução de problemas de caráter experimental

Cleane C. Paz*; Luciana N. A. Ferreira


The construction of arguments by solving experimental problems with the help of the heuristic diagram.

http://dx.doi.org/10.21577/0100-4042.20250042

Publicado online: julho 24, 2024
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Total access: 447

Assuntos Gerais Quim. Nova 2025, 48(3), e-20250053, 1-6

 

Profa. Dra. Ana Rosa Kucinski Silva

Dalva L. A. de FariaI,II,*


Ana Rosa Kucinski Silva, lecturer in the Department of Chemistry at the University of São Paulo, was kidnapped and murdered in 1974 by the Brazilian military dictatorship (1964-1985). Very little is known about her academic activities. This work aims to contribute to fill this gap.

http://dx.doi.org/10.21577/0100-4042.20250053

Publicado online: setembro 4, 2024
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Total access: 462

Quim. Nova 2025, 48(3), e-20250087, 1-12

 

José Israel Vargas: essências da vida e obra de um líder da ciência no Brasil

Luiz C. A. Barbosa; Luciano E. Faria; José D. Fabris


Essential facts and circumstances of José Israel Vargas' outstanding career, over seven decades, are highlighted. These comprise his scientific research time at Centre d´Études Nucléares de Genoble (CENG), France, his work at Federal University of Minas Gerais (UFMG), and his lively involvement in ruling Brazilian science policy.

http://dx.doi.org/10.21577/0100-4042.20250087

Publicado online: dezembro 10, 2024
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Total access: 423

Quim. Nova 2025, 48(3), e-20250088, 1-13

 

Medicinal chemistry in popular culture: an analysis of the representation of bioactive substances in cartoons and games

Aldo S. de OliveiraI; Angelica JustinoII; Thiago H. DoringI; Vanessa NascimentoIII,*


This study explores how bioactive substances are depicted in popular culture, particularly in cartoons and games, through the perspective of Medicinal Chemistry.

http://dx.doi.org/10.21577/0100-4042.20250088

Publicado online: dezembro 20, 2024
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Total access: 347

On-line version ISSN 1678-7064 Printed version ISSN 0100-4042
Química Nova
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