Publicações - ciências exatas e da terra
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Fabio Marcelo Breunig;
Leonardo José Cordeiro Santos;
José Guilherme de Oliveira;
Edenilson Roberto do Nascimento;
Tony Vinicius Moreira Sampaio;
Elias Fernando Berra;
Elaine de Cacia de Lima Frick;
Marcos Adami;
Lênio Soares Galvão;
Romario Trentin;
William Gaida
Palavra-chave:
remote sensing;
Aster;
Restsrahlen;
Sandization;
Thermal infrared
resumo ...
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DLUGOVIET, TÂNIA F.;
Beatriz Helena Lameiro Noronha Sales Maia;
Ferriani, Aurea P.;
HENDGES, ANA PAULA P. KLEIN;
CAMARGO, REBECA G.;
DUARTE, MARTA C. T.;
DUARTE, RENATA M. T.;
Ana Lúcia Tasca Gois Ruiz;
NAGATA, NOEMI;
MARQUES, FRANCISCO A.
Palavra-chave:
essential oil;
Baccharis
Áreas do conhecimento:
Ciências Exatas e da Terra; Química; Química Orgânica; Química dos Produtos Naturais
resumo ...
Essential oils (EOs) of three native species Baccharis uncinella, B. retusa and B. calvescens, obtained through hydrodistillation, were analyzed by GC-MS and GC-FID for seasonality, and the antimicrobial and anti-proliferative activities were evaluated. EO of B. calvescens and B. uncinella consisted mainly of oxygenated sesquiterpenes, while in the EO of B. retusa, monoterpene hydrocarbons were predominant. The highest antimicrobial activity was observed for spring B. uncinella EO against S. aureus, C. albicans and summer B. uncinella EO against C. albicans and B. subtilis. Essential oils of B. calvescens showed more effective anti-proliferative activity than B. retusa EO and B. uncinella EO. This is the first study of the EO of B. retusa, and it was demonstrated that the majority composition was different in all seasons of the year, justifying the importance of the seasonal study. Furthermore, the summer and spring EO showed potent cytostatic effects against the K562 and OVCAR-03 cell lines, respectively. For each species, PCA differentiated the EO chemical composition seasonally. PCA of all samples distinguished the three species. This study underscores the importance of assessing seasonal variation in the chemical composition and biological activities of essential oils, highlighting the potential of compounds spathulenol, caryophyllene oxide, limonene and α-pinene for achieving the desired product properties.
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STIVAL, LEANDRO;
DA SILVA TORRES, RICARDO;
Hélio Pedrini
Áreas do conhecimento:
Ciências Exatas e da Terra; Ciência da Computação; Metodologia e Técnicas da Computação; Engenharia de Software
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HERBST, GIULIA;
BASTIDA, GABRIELA ADRIANA;
TARRÉS, QUIM;
CORAZZA, MARCOS LÚCIO;
Luiz Pereira Ramos;
DELGADO-AGUILAR, MARC
Palavra-chave:
lignina kraft;
sililação;
compósitos;
poli(ácido láctico);
propriedades físico-mecânicas;
propriedades de interface
Áreas do conhecimento:
Engenharias; Engenharia Química; Tecnologia Química; Petróleo e Petroquímica;
CIENCIAS_AGRARIAS; Recursos Florestais e Engenharia Florestal; Tecnologia e Utilização de Produtos Florestais; Tecnologia de Celulose e Papel;
Ciências Exatas e da Terra; Química; Química Orgânica; Síntese Orgânica
resumo ...
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Luís Marcos CerdeiraFerreira;
Gustavo Martins;
Maurício A.P.Papi;
Anne Raquel Sotiles;
WYPYCH, FERNANDO;
Márcia Cristina Kutz;
Luiz Humberto Marcolino-Junior
Palavra-chave:
layered double hydroxide;
sensors
Áreas do conhecimento:
Ciências Exatas e da Terra; Química; Engenharia e Ciencia de Materiais; Materiais de Baixa Dimensionalidade Estrutural;
Ciências Exatas e da Terra; Química; Eletroquimica
resumo ...
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NETO, INOCENCIO DE O. BORGES;
Leonardo José Cordeiro Santos;
DE SOUZA, JOSÉ J.L.L.;
XAVIER, RAFAEL A.;
SOUZA, BARTOLOMEU I. DE;
LIMA, VALÉRIA R. P. DE;
GOMES, AURELIANA S.;
SEABRA, VINICIUS DA S.;
CARDOSO, PHILLIPE V.
Palavra-chave:
inselbergs field;
Caatinga soils;
pocket soils
resumo ...
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Ana Paula Z. Moscardi;
Luís M.C. Ferreira;
Gustavo Martins;
David R.C.D. de Paula;
Anne Raquel Sotiles;
WYPYCH, FERNANDO;
MÁRCIO F. BERGAMINI;
Luiz Humberto Marcolino-Junior
Palavra-chave:
Layered double hydroxides;
sensors;
delaminação
Áreas do conhecimento:
Ciências Exatas e da Terra; Química; Eletroquimica;
Ciências Exatas e da Terra; Química; Química Analítica; Eletroanalítica
resumo ...
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RAMBO, CASSIA R.;
PAULA, SAMUEL F. C.;
Andre Luiz Meleiro Porto;
Isac George Rosset
Palavra-chave:
NMR;
progesterene;
DP4+;
DFT
Áreas do conhecimento:
Ciências Exatas e da Terra; Química; Química Computacional;
Ciências Exatas e da Terra; Química; Química Orgânica; Síntese Orgânica
resumo ...
Hydroxylated derivatives of progesterone are biologically relevant compounds obtained through regio- and stereoselective biotransformations, but determining their stereochemical configuration is challenging due to subtle NMR chemical shift differences. In this study, monohydroxylated (prog-15-OH) and dihydroxylated (prog-7,15-di-OH) progesterone derivatives produced by Penicillium oxalicum CBMAI 1996 were analyzed. Quantum NMR calculations combined with statistical validation allowed the unambiguous identification of the 15β-OH and 7β,15β-di-OH isomers, with DP4+ probabilities of 100% and 99.8%, respectively. These findings confirm the stereochemical outcome of enzymatic hydroxylation and demonstrate the reliability of integrating computational NMR with experimental spectroscopy for resolving stereochemical ambiguities in complex steroidal frameworks. Conformational searches were performed using the MMFF94 force field, followed by DFT geometry optimizations at the B3LYP/6-311G(2d,p) level with IEFPCM (chloroform). NMR shielding tensors were computed by the GIAO method at the mPW1PW91/6-311G(d,p) level with PCM (chloroform), and chemical shifts were referenced to TMS. Experimental and calculated 1H/13C shifts were compared using correlation coefficients (R2), mean absolute deviation (MAD), root mean square deviation (RMSD), and DP4+ probability analysis. All calculations were performed with Gaussian 16.
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ALVES DA SILVA, MATHEUS;
LAGOEIRO, LEONARDO;
Geane Carolina Gonçalves Cavalcante;
BARBOSA, PAOLA FERREIRA
Palavra-chave:
Strain localization
Áreas do conhecimento:
Ciências Exatas e da Terra; Geociências; Structural Geology
resumo ...
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CERDA-HERNÁNDEZ, JOSÉ;
Jose Alberto Ramos Flor
Áreas do conhecimento:
Ciências Exatas e da Terra; Otimização
resumo ...
We derive new necessary and sufficient conditions for strict efficiency in vector optimization problems for non-smooth mappings. Unlike other approaches, our conditions are described in terms of a suitable directional curvature functional that allows us to derive no-gap second-order optimality conditions in an abstract setting. Our approach allows us to apply our results even when classical assumptions such as the second-order regularity conditions to the feasible set fail, extending the applicability of our approach. As applications to mathematical programming, we provide new primal and dual Karush-Kuhn-Tucker (KKT) second-order necessary and sufficient conditions. We provide some examples to illustrate our findings.
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