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20:33, sáb nov 2

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EDIÇÃO ATUAL vol. 43, No. 5, 2020



Artigo de Capa
Quim. Nova 2020, 43(5), 668-678

A química dos saneantes em tempos de COVID-19: você sabe como isso funciona?

Maria L. S. O. LimaI,*; Ramon K. S. AlmeidaII; Francine S. A. da FonsecaIII; Caroline C. S. GonçalvesIV,**

According to leading global health organizations, sanitizers play an important role in containing COVID-19. With different modes of action, each chemical compound has its particular contribution to protect people and eradicate the pandemic.

http://dx.doi.org/10.21577/0100-4042.20170552

Publicado online: maio 21, 2020
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Total access: 8417

Artigo Quim. Nova 2020, 43(5), 521-527

 

Laboratory investigation of x-ray photolysis of methanol ice and its implication on astrophysical environments

Fabricio M. FreitasI,*; Sérgio PillingI,II


Investigation of X-ray photolysis of methanol ice with identification of produced species, determination of Equilibrium Branching Ratio (EBR) and timescale to reach chemical equilibrium.

http://dx.doi.org/10.21577/0100-4042.20170510

Publicado online: abril 6, 2020
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Total access: 1152

Quim. Nova 2020, 43(5), 528-533

 

Dinâmica molecular reativa da abertura do anel epóxi em reações com poliamina

Ellen Cristine Araújo Rosa*; Rene Francisco Boschi Gonçalves; Marcela Galizia Domingues; José Atílio Fritz Fidel Rocco


The epoxy ring-opening was studied by molecular dynamics simulations with ethylene oxide and methanediamine. The intermediate product (C3H2NO) is shown in the figure above, in which carbon, hydrogen, nitrogen and oxygen atoms are represented in gray, green, blue and red, respectively.

http://dx.doi.org/10.21577/0100-4042.20170512

Publicado online: abril 6, 2020
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Total access: 1821

Quim. Nova 2020, 43(5), 534-539

 

Valores de referência da concentração de metais pesados em solos na Amazônia Central

Ananda Gabrielle de Matos RebêloI,*; Maria Terezinha Ferreira MonteiroI; Sávio José Filgueiras FerreiraI; Eduardo Antonio Ríos-VillamizarI; Carlos Alberto Nobre QuesadaII; Sergio Duvoisin JuniorIII


Trace metals accumulate in various geochemical phases of the sediment through adsorption, co-precipitation and complexation and can be found in the soil in the forms described in the scheme above.

http://dx.doi.org/10.21577/0100-4042.20170516

Publicado online: abril 13, 2020
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Total access: 1340

Quim. Nova 2020, 43(5), 540-551

 

Aplicação da fluidodinâmica computacional (CFD) e análise de acelerantes na investigação de incêndio

Igor O. P. da CunhaI,III; Wanderson RomãoI,II; Valdemar Lacerda JuniorI,*


The use of GC-MS in the identification of arson-derived accelerants and computer simulation using FDS to verify whether fire damage is compatible to occur naturally or only with the use of accelerant.

http://dx.doi.org/10.21577/0100-4042.20170519

Publicado online: abril 13, 2020
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Quim. Nova 2020, 43(5), 552-557

 

Análise espectroscópica da matéria orgânica no sedimento superficial da baía de sepetiba, Rio de Janeiro, Brasil

Angelo C. B. CarvalhoI,*; Libério J. SilvaI; Déborah P. DickII; Vanessa de A. MoreiraI; Murilo de C. VicenteI; Antoni Felipe O. de AndradeI; Edison Dausacker BidoneI; Elisamara Sabadini-SantosI


Infrared spectral absorption locations are indicative of functional groups bonds (e.g., aliphatic, amidic, aromatic and carboxylic) which provide important information about organic matter composition of coastal sediments.

http://dx.doi.org/10.21577/0100-4042.20170518

Publicado online: abril 13, 2020
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Total access: 1084

Quim. Nova 2020, 43(5), 558-567

 

Phytochemical and biological studies of constituents from roots of Salacia crassifolia (Celastraceae)

Josana Pereira dos SantosI, Willian Xerxes Coelho OliveiraI, Sidney A. Vieira-FilhoII, Rafael C. G. PereiraI, Grasiely Faria de SouzaI, Viviane Alves GouveiaIII, Adriano de Paula SabinoIV, Fernanda C. G. EvangelistaIV, Jacqueline Aparecida TakahashiI, Marília A. F. MouraI, Filipe B. AlmeidaV and Lucienir Pains DuarteI,*


The phytochemical study of the S. crassifolia roots led to the isolation of thirteen compounds. Their chemical structures were determined by IR and 1D/2D NMR together with X-ray diffractometry. Extracts of S. crassifolia and some of the compounds were evaluated on acetylcholinesterase inhibition, in vitro cytotoxic activity and in vivo toxicity tests using Caenorhabditis elegans model. All tested compounds inhibited acetylcholinesterase. The tested compounds showed low cytotoxicity against the THP-1, K562 and MDA-MB-231 cancer cell lines. None of the tested compounds and extracts were toxic against C. elegans.

http://dx.doi.org/10.21577/0100-4042.20170520

Publicado online: abril 14, 2020
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Total access: 1812

Quim. Nova 2020, 43(5), 568-571

 

A new seco-limonoid from the inflorescences of Dictyoloma vandellianum

Laiane Caline Oliveira PereiraI; Lucas Silva AbreuI; Mayra Bitencourt SilveiraII; Yuri Mangueira do NascimentoI; Thalisson Amorim de SouzaI; Mireille Le HyaricIII; Thaís Mangeon Honorato LisboaI; Marianna Vieira SobralI; Eudes da Silva VelozoII; Josean Fechine TavaresI,*; Marcelo Sobral da SilvaI


A new A-seco-limonoid, dictyolomol, isolated from the inflorescences of Dictyoloma vandellianum.

http://dx.doi.org/10.21577/0100-4042.20170515

Publicado online: abril 13, 2020
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Total access: 978

Quim. Nova 2020, 43(5), 572-578

 

Bacterial nanocellulose biomembrane as a support for human insulin aiming at transdermal permeation

Ludmilla R. JorgeI; Liliam K. HaradaI; Erica C. SilvaI; Welida F. CamposI; José M. Oliveira Jr.I; Marta M. D. C. VilaI,*; Matthieu TubinoII,#; Victor M. BalcãoI,III


Microbial nanocellulose was utilized as a biomatrix for the physical adsorption of human insulin and, after a full physicochemical characterization, was used in transdermal permeation studies aiming at developing a new route for insulin delivery.

http://dx.doi.org/10.21577/0100-4042.20170522

Publicado online: abril 14, 2020
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Total access: 1302

Quim. Nova 2020, 43(5), 579-585

 

Use of paper spray-mass spectrometry to determine the chemical profile of ripe banana peel flour and evaluation of its physicochemical and antioxidant properties

Viviane D. M. SilvaI; Priscila B. F. ArquelauI; Mauro R. SilvaI; Rodinei AugustiII; Júlio O. F. MeloIII,*; Camila A. FanteI


Evaluation of the composition, physicochemical and antioxidant characteristics, and chemical profile of ripe "Prata" banana peel flour.

http://dx.doi.org/10.21577/0100-4042.20170521

Publicado online: abril 14, 2020
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Total access: 1469

Quim. Nova 2020, 43(5), 586-592

 

Vibrational spectroscopic investigation and molecular structure of a 5α-reductase inhibitor: finasteride

Lin-Jie WangI,*; William B. ZengII; Song GaoIII


The geometric parameters, vibrational frequencies and frontier molecular orbitals are calculated with PBE, RPBE, HCTH, PW91 and BLYP functionals. Electron density isosurface and atomic charge distribution are calculated to demonstrate the active-site of finasteride.

http://dx.doi.org/10.21577/0100-4042.20170535

Publicado online: abril 22, 2020
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Total access: 1058

Quim. Nova 2020, 43(5), 593-598

 

Synthesis, characterization and antimicrobial activity of new Cu (II), Co (II) and Sn (II) complexes with the sodium hydrotris(2-mercaptothiazolyl)borate ligand

Lorena S. Ferreira; Jéssica T. Andrade; William G. Lima; Juliano de P. Souza; Rafael C. R. Chagas; Camyla A. Leonel; Laís C. Cunha; Karina M. S. Herrera; Alysson V. Braga; Luís F. Soares; Jaqueline M. S. Ferreira*


Design, synthesis, characterization and determination of biological activity of scorpionate ligand coordinated with copper (Cu), cobalt (Co), and tin (Sn).

http://dx.doi.org/10.21577/0100-4042.20170526

Publicado online: abril 16, 2020
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Total access: 979

Quim. Nova 2020, 43(5), 599-606

 

Multivariate analysis of digital images as an alternative to monitor dye degradation by the fenton process

Victor Hugo Jacks Mendes dos SantosI,II,*,#, Darlan PontinI,II, Gabriele Sória OliveiraI, Tiago de Abreu SiqueiraII,# and Marcus SeferinI,#


A multivariate method based on the color histogram of digital images can be applied to monitor the degradation of dyes.

http://dx.doi.org/10.21577/0100-4042.20170531

Publicado online: abril 20, 2020
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Total access: 2332

Quim. Nova 2020, 43(5), 607-612

 

Padronização da quantificação de glutationa redutase em Aegla singularis (Anomura, Crustacea) utilizando planejamento experimental DCCR

Sabrina M. AlbaniI; Ana P. BorgesI; Monik C. MartinsI; Rozane M. RestelloI; Fernanda D. CameraII; Natália ParoulIII; Rogério L. CansianIII; Albanin A. Mielniczki-PereiraI,*


DCCR planning optimization showed that GR activity from Aegla increases as function of higher GSSG and lower protein concentration in the reaction. In environmental validation, GR activity was lower in watersheds that presented higher percentage of anthropogenic uses.

http://dx.doi.org/10.21577/0100-4042.20170527

Publicado online: abril 16, 2020
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Total access: 1061

Revisão Quim. Nova 2020, 43(5), 613-622

 

Terapia fotodinâmica em eletrofiação: revisão de técnicas e aplicações

Ariane R. de S. RossinI; Évelin Lemos de OliveiraI; Flavia Amanda Pedroso de MoraesI; Ranulfo C. da S. JúniorI; Desirée Tamara ScheidtII; Wilker CaetanoI; Noboru HiokaI,*; Douglas C. DragunskiII,*


The electrospinning technique can be used in conjunction with photodynamic therapy for the manufacture of materials for medical use. A systematic review of the union of the two techniques is presented.

http://dx.doi.org/10.21577/0100-4042.20170524

Publicado online: abril 14, 2020
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Total access: 1792

Quim. Nova 2020, 43(5), 623-631

 

Aplicação de nanopartículas de ferro zero-valente (nFeZ) na remediação de solos e águas subterrâneas contaminadas: uma revisão

Sidiane ManfronI,*; Antonio ThoméI; Iziquiel CecchimI; Krishna R. ReddyII


Nanotechnology has become an important innovation to be used in soil and contaminated water remediation processes. The zero-valent iron (nZVI) is considered an efficient nanomaterial capable of degrading various types of pollutants.

http://dx.doi.org/10.21577/0100-4042.20170523

Publicado online: abril 14, 2020
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Total access: 1446

Nota Técnica Quim. Nova 2020, 43(5), 632-635

 

Kaurenoic acid determination in extract, tincture and syrup of Mikania glomerata by HPLC-QqQ-MS/MS

Alan F. Canevari MoreiraI; Victor Rodrigues AlvesII; Gustavo A. MickeII; Lucas M. DuarteI; Nerilson M. LimaI; Marcone A. L. de OliveiraI,*


A rapid and reliable method by HPLC-QqQ-MS/MS for identification and quantification of Kaurenoic acid (KA) in extract, tincture and syrup from Mikania glomerata. The developed method represents an excellent alternative for agile and efficient analysis of the KA in complex matrices from simple dilution.

http://dx.doi.org/10.21577/0100-4042.20170528

Publicado online: abril 16, 2020
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Total access: 826

Educação Quim. Nova 2020, 43(5), 636-641

 

Avaliação das dificuldades dos estudantes de graduação na elaboração de relatórios de química experimental

Klenicy K. L. YamaguchiI,*; Hudinilson Kendy de Lima YamaguchiII; Jath da Silva e SilvaIII


Evaluating of difficulties of undergraduate on the report of Chemistry Lab Experimental.

http://dx.doi.org/10.21577/0100-4042.20170501

Publicado online: março 31, 2020
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Total access: 1123

Quim. Nova 2020, 43(5), 642-648

 

Preparação de hidrazona e N-acilidrazona usando fármacos comerciais como reagentes: aulas práticas de síntese de compostos bioativos

Isabella Elias Arruda; Brendo Vinícius Santos Macedo; Joseane da Conceição Macedo; Wesley Randson Alcantara Campos; Cleônia Roberta Melo Araújo*; e Arlan de Assis Gonsalves


This work shows the application of commercial drugs as alternative reagents for organic chemistry and medicinal chemistry education.

http://dx.doi.org/10.21577/0100-4042.20170497

Publicado online: março 16, 2020
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Total access: 1579

Quim. Nova 2020, 43(5), 649-655

 

Sequência didática para a promoção de estudo prático e multidisciplinar com materiais acessíveis

Sharise Beatriz R. BertonI,III,*; Milena P. FerreiraII; Edmilson Antonio CanesinIII; Rúbia Michele SuzukiIII; Alessandro Francisco MartinsIII; Elton G. BonaféIII; Makoto MatsushitaI


A didactic sequence for the study of the environment, extremely important subject and very useful for both academic and personal life.

http://dx.doi.org/10.21577/0100-4042.20170506

Publicado online: março 31, 2020
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Total access: 1424

Assuntos Gerais Quim. Nova 2020, 43(5), 656-667

 

Durability of HDPE geomembranes: an overview

Fernando Luiz LavoieI,II,*; Marcelo KobelnikII; Clever Aparecido ValentinII; Jefferson Lins da SilvaII


This paper summarizes the mechanisms and concepts involved in the HDPE geomembrane aging and describes the important contributions of laboratory and field studies over the years around the world.

http://dx.doi.org/10.21577/0100-4042.20170540

Publicado online: maio 4, 2020
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Total access: 2781

Quim. Nova 2020, 43(5), 679-684

 

Soluções a base de álcool para higienização das mãos e superfícies na prevenção da COVID-19: compêndio informativo sob o ponto de vista da química envolvida

Rodrigo SequinelI,*; Guilherme Felipe LenzI; Francis Josiane Liana Baumgardt da SilvaII; Fabiano Rosa da SilvaI,**


Hand and surface hygiene, associated with social distance and the use of masks, are the most effective measures to prevent the spread of coronavirus and worsening the pandemic.

http://dx.doi.org/10.21577/0100-4042.20170553

Publicado online: maio 21, 2020
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Total access: 3541

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