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10:43, qui nov 21

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EDIÇÃO ATUAL vol. 44, No. 8, 2021



Artigo de Capa
Quim. Nova 2021, 44(8), 982-998

Enganando o citocromo P450BM3: catálise de várias transformações de substratos não nativos usando moléculas-traiçoeiras

Joshua K. StanfieldI; Kazuto SuzukiI; Kai YonemuraI; Talita MalewschikI,II; Osami ShojiI,*

Cytochrome P450BM3 is a highly selective enzyme that, barring extensive engineering, will not hydroxylate non-native substrates, such as benzene. However, upon the simple addition of a native substrate mimic (decoy molecule), P450BM3 can be "tricked" into hydroxylating non-native substrates.

http://dx.doi.org/10.21577/0100-4042.20170747

Publicado online: abril 6, 2021
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Total access: 2032

Artigo de Contra Capa
Quim. Nova 2021, 44(8), 999-1011

O processo de anodização do alumínio e suas ligas: uma abordagem histórica e eletroquímica

João Victor de Sousa Araujo; Rejane Maria Pereira da Silva; Rafael Emil Klumpp; Isolda Costa*

Aluminum anodizing process and the formation of the anodized layer as a function of time.

http://dx.doi.org/10.21577/0100-4042.20170748

Publicado online: abril 8, 2021
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Total access: 1564

Artigo Quim. Nova 2021, 44(8), 921-928

 

Highly selective HF-LPME-GC-MS for cocaine and biotransformation products in human hair to monitor drug addicts

Deborah Thais Palma ScanferlaI; Jessica Yuri SakuradaI; Luís Otávio de OliveiraI; Renata Sano LiniI; Raul Gomes AgueraI; Mariana Aparecida Oliveira MadiaI; Paula Pessoa MoreiraI; Jessica Cristina Zoratto RomoliII; Érika BandoII; Miguel Machinski JuniorII; Camila MarchioniIII; Simone Aparecida Galerani MossiniII,*


A hair segment was incubated with methanol and the analytes were extracted from the solution through a porous hollow fiber, by Liquid Phase Microextraction (HF-LPME). The extract was analysis in Gas Chromatography - Mass Spectrometry (GC-MS).

http://dx.doi.org/10.21577/0100-4042.20170737

Publicado online: março 18, 2021
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Total access: 1024

Quim. Nova 2021, 44(8), 929-935

 

DFT calculation and raman spectroscopy studies of α-linolenic acid

Heng Peng; Hua-Yi Hou; Xiang-Bai Chen*


The experimental and calculated Raman spectra of α-linolenic acid are in excellent agreement in the whole spectral range of 100-3500 cm-1, and a complete vibrational modes assignment of the experimentally observed Raman peaks can be obtained basing on the DFT calculation.

http://dx.doi.org/10.21577/0100-4042.20170749

Publicado online: abril 8, 2021
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Total access: 943

Quim. Nova 2021, 44(8), 936-946

 

Avaliação de agrotóxicos em solo de sistemas de produção agrícola convencional e agroecológico

Fernanda G. Morro; Danielle C. Schnitzler*


The Graphical Abstract represents two cultivation systems, the conventional and the agroecological, which are located close to each other. Due to the application of agrochemicals in the conventional system, it is possible that they will move between environmental interfaces.

http://dx.doi.org/10.21577/0100-4042.20170763

Publicado online: maio 12, 2021
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Total access: 1176

Quim. Nova 2021, 44(8), 947-953

 

Teores de vanádio, molibdênio e antimônio em solos de diferentes litologias em santa catarina

Ilana Marin Suppi*; Mari Lucia Campos; David Jose Miquelluti; Matheus Rodrigo Machado


The analysis of vanadium, molybdenum, and antimony contents in soils without anthropic contamination of Santa Catarina state has demonstrated of these levels can be related with source material, as well with physicochemical attributes of soils.

http://dx.doi.org/10.21577/0100-4042.20170768

Publicado online: maio 19, 2021
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Total access: 752

Quim. Nova 2021, 44(8), 954-962

 

Composição química e atividades fotoprotetora e antiradicalar in vitro dos galhos de Platonia insignis (Clusiaceae)

Andréia G. A. Silva; Rodrigo de A. Moreira; Renato Pinto de Sousa; Evaldo dos S. M. Filho; Marcia D. A. Veras; Mariana Helena Chaves; Sâmya D. L. Freitas*


The chemical study of the branches of Platonia insignis enabled the isolation of the biflavonoid morelloflavone and the identification of over 9 polyphenols. In vitro biological tests of solar photoprotection and antiradical activities against the crude extract and Hex and AcOEt fractions showed relevant results, which confirm the high pharmaceutical potential of the species.

http://dx.doi.org/10.21577/0100-4042.20170761

Publicado online: maio 6, 2021
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Total access: 1118

Revisão Quim. Nova 2021, 44(8), 963-981

 

Redução de CO2 em hidrocarbonetos e oxigenados: fundamentos, estratégias e desafios

Gelson T. S. T. da SilvaI; Osmando F. LopesII; Eduardo H. DiasI,III; Juliana A. TorresI; André E. NogueiraIV; Leandro A. FaustinoII; Fernando S. PradoII; Antônio O. T. PatrocínioII,*; Caue RibeiroI,#


The image shows the use of electrical and light-activated catalysts, as well as the combinate energy in the process for CO2 reduction into some liquid and gas products.

http://dx.doi.org/10.21577/0100-4042.20170745

Publicado online: abril 1, 2021
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Total access: 2125

Quim. Nova 2021, 44(8), 1012-1019

 

Aspectos gerais da química dos ditiocarbamatos e de seus complexos metálicos e interações dessas espécies químicas com importantes enzimas - uma breve revisão

Daniele C. MenezesI; Geraldo M. de LimaII,*


Dithiocarbamates (DTC) are ligands well explored in coordination chemistry. A number of works also report how some biologic processes behave in the presence of DTC-bearing complexes. These studies show that DTCs deactivate important enzymes.

http://dx.doi.org/10.21577/0100-4042.20170755

Publicado online: abril 22, 2021
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Total access: 1101

Nota Técnica Quim. Nova 2021, 44(8), 1020-1027

 

Transformada inversa de laplace para análise de sinais de ressonância magnética nuclear de baixo campo

Tiago Bueno Moraes*


Applying Inverse Laplace Transform (ILT) to process a Time-Domain NMR signal for the obtention of the distribution of relaxation times.

http://dx.doi.org/10.21577/0100-4042.20170751

Publicado online: abril 14, 2021
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Total access: 1225

Quim. Nova 2021, 44(8), 1028-1035

 

Gurupi isotherms plot (GIP): uma ferramenta com interface gráfica intuitiva e gratuita como alternativa para o cálculo de parâmetros de isoterma de adsorção

Douglas A. CastroI; Mateus P. S. MilhomemI; Douglas H. PereiraI,*; Paulo V. B. LealII


Gurupi Isotherms Plot (GIP) is a new free software, has a friendly graphical interface and that uses the minimum squares and Newton method to calculate adsorption isotherm parameters with precision and fast performance.

http://dx.doi.org/10.21577/0100-4042.20170752

Publicado online: abril 14, 2021
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Total access: 750

Educação Quim. Nova 2021, 44(8), 1036-1044

 

Uso de softwares livres em aula prática sobre filtros moleculares de biodisponibilidade oral de fármacos

Gabriela dos Santos RodriguesI; Júnior A. AvelinoI; Ariane L. N. SiqueiraI; Luciana F. P. RamosII; Gabriela B. dos SantosI,*


A novel teaching methodology to show the importance of the physical chemical properties for the oral bioavailability of drugs.

http://dx.doi.org/10.21577/0100-4042.20170739

Publicado online: março 23, 2021
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Total access: 3559

Quim. Nova 2021, 44(8), 1045-1077

 

Simetria molecular e reações de dessimetrização em síntese orgânica#

Bruno Matos Paz*; Emilio C. de Lucca Júnior; Ronaldo A. Pilli


Ubiquitous in Nature, symmetry is a pervasive concept as it encompasses creativity in Arts and Science. The GA illustrates a C2-symmetric musical piece, known as Der Spiegel, designed to be played simultaneously by two violinists, one facing each other, and both reading from the same score but from opposite sides with one starting from the beginning and the other from the end resulting in a coherent play. Taking the planning of a synthesis as a parallel to the process of composing a symphony, the recognition of symmetry in a target can be seen as the synthetic equivalent to writing a mirrored music score.

http://dx.doi.org/10.21577/0100-4042.20170760

Publicado online: abril 28, 2021
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Total access: 1176

Quim. Nova 2021, 44(8), 1078-1083

 

Coverage of intermolecular forces in organic chemistry textbooks

José Nunes da Silva JúniorI,*; José Mariano de Sousa OliveiraI; Francisco Serra Oliveira AlexandreII; Antonio José Mello Leite JuniorIII


The paper analyzes fifteen organic chemistry textbooks commonly used in Brazilian universities to examine intermolecular forces' coverage in them.

http://dx.doi.org/10.21577/0100-4042.20170766

Publicado online: maio 12, 2021
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Total access: 1053

Assuntos Gerais Quim. Nova 2021, 44(8), 1084-1092

 

A nanotecnologia no Brasil e o desenvolvimento de produtos com atividade antimicrobiana

Bruna de Paula DiasI; Erica Milena de Castro RibeiroI; Ricardo Lemes GonçalvesI; Diego Santos OliveiraII; Tiago Hilário FerreiraII; Breno de Mello SilvaI,*


The use of nanotechnology rushes the development of new products and applications for microbial control and lever the country's entrepreneurship, innovation, research, and economy.

http://dx.doi.org/10.21577/0100-4042.20170743

Publicado online: março 24, 2021
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Total access: 1282

Quim. Nova 2021, 44(8), 1093-1100

 

O jardim venenoso: a química por trás das intoxicações domésticas por plantas ornamentais

Ana Tayná Chaves Aguiar; Valdir Florêncio da Veiga Júnior*


Several ornamental plants are potentially dangerous to humans and animals due to the presence of various toxins. Children from 0 to 14 years old are the main victims of the intoxication cases (two thirds), mainly related to calcium oxalate, terpenes, alkaloids and glycosides.

http://dx.doi.org/10.21577/0100-4042.20170746

Publicado online: abril 1, 2021
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Total access: 2958

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