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New Strategy for Streptavidin Detection Using AuNRs/PAAm Hydrogel Composites
Localized surface plasmon resonance (LSPR) is a collective oscillation of free electrons induced by the incident light in nanometric surfaces of conductive materials. Gold nanorods (AuNRs) have been studied for plasmonic devices due to their anisotropic properties. Herein, we report the construction of a specific biosensor using polyacrylamide (PAAm) as the gold nanorods support and test its efficiency with specific streptavidin interaction using biotinylated substrates. First, the hydrogels were synthesized by electropolymerization using cyclic voltammetry on ITO/glass substrates and swallowed with AuNRs. The AuNRs were c...
Source: Journal of the Brazilian Chemical Society - August 19, 2020 Category: Chemistry Source Type: research

Drawing Electrochemical Sensors Using a 3D Printing Pen
This communication demonstrates that a 3D printing pen, commercially-available as a toy for kids, can be used to draw thermoplastic electrochemical sensors using conductive filaments over any desirable format and substrate. A polylactic acid filament containing graphene or carbon black was passed through the 3D pen that works as a handheld 3D printer (fused deposition modeling type). As proof-of-concepts, we select three designs, the first one analogous to a conventional carbon-paste electrode, the second one containing the three electrodes in a cylindrical tube and the third one similar to commercial screen-printed electr...
Source: Journal of the Brazilian Chemical Society - August 19, 2020 Category: Chemistry Source Type: research

Determination of Ethanol in Gel Hand Sanitizers Using Mid and Near Infrared Spectroscopy
Alcohol-based gel hand sanitizers became very popular during the COVID-19 (coronavirus disease 2019) pandemic. In Brazil, several irregular factories emerged requiring an efficient control by the police and regulatory agencies to guarantee product quality. This problem required a method to determine ethanol content, which led to the development of two methods employing mid and near infrared spectroscopy associated with chemometrics. Partial least squares (PLS) models were built and presented satisfactory results with mean absolute percentage error of prediction and root mean square error of prediction (RMSEP) of 1.12 and 0...
Source: Journal of the Brazilian Chemical Society - August 19, 2020 Category: Chemistry Source Type: research

A New Isoflavone and Other Constituents from Roots of Clitoria guianensis
A new isoflavone named pratensein-7-O- β -D-rutinoside [(-)-7-O- α -L-rhamnopyranosyl-(1 → 6)- β -D-glucopyranosyl-5,3 ’ -dihydroxy-4 ’ -methoxyisoflavone] and the known compounds biochanin A-7-O- β -D-rutinoside, 6-deoxyclitoriacetal 11-O- β -D-glucopyranoside, 6-deoxyclitoriacetal, (2S)-naringenin-6-C- β -D-glucopyranoside, (2R)-naringenin-6-C- β -D-glucopyranoside, tachioside, and koaburaside were isolated from the roots of Clitoria guianensis (Aubl.) Benth var. guianensis (Fabaceae), a subshrub found in the Brazilian Cerrado biome. The structures of the compounds were identified by physical and spectroscop...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

A New Energetic Complex: Synthesis, Structure, and Combustion Catalysis Performance
The potential of tetrazole-based ligands for forming energetic complexes applied in pyrotechnics and propellants is demonstrated with the use of 5,5 ’ -(1,3-phenylene)bis(1H-tetrazole) (H2BTB) to generate an energetic complex with high energy. A new energetic complex of PbII-tetrazolate, [Pb2(BTB)2(H2O)8] ·5H2O (1), was synthesized and structurally characterized by single crystal X-ray diffraction. Structural analysis reveals that the central PbII ions present two distinct coordination environments in the asymmetric unit, including distorted pentagonal bipyramid and distorted tetragonal pyramid geom etries, respectively...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

Imiquimod/β-Cyclodextrin Inclusion Complex: Experimental and Theoretical Studies
Imiquimod (IMQ), an immune response modifier, is used for topical treatment of basal cell carcinoma and actinic keratosis. The very poor aqueous solubility of imiquimod gives rise to difficulties in designing aqueous formulations with this drug. One approach that is widely used to enhance drug solubility is complexation with cyclodextrins. The formation of the inclusion complex between IMQ and β -cyclodextrin was investigated in solution and in solid state. IMQ aqueous solubility was improved in the presence of citric acid. The experimental results and molecular modeling indicated the formation of the inclusion complex in...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

Expeditious Syntheses to Pharmochemicals 1,3-Dihydroxyacetone, 1,3-Dichloro-, 1,3-Dibromo- and 1,3-Diiodoacetone from Glycerol 1,3-Dichlorohydrin Using Homogenous and Heterogenous Medium
New efficient and reproductive routes to production of 1,3-dihydroxyacetone (1), 1,3-dichloroacetone (6), 1,3-dibromoacetone (7) and 1,3-diiodoacetone (8) from glycerol 1,3-dichlorohydrin (3) were developed. The synthesis of 1 was processed in three steps from glycerol 2 (1,3-selective chlorination of 2 to 3, oxidation of 3 to 6 and subsequent di-hydroxylation) in 51% overall yield. On the other hand, 7 and 8 were produced from3, via a trans-bromination and trans-iodination, respectively, followed by oxidation and hydroxylation steps, in 38-52% overall yield. It was used homogeneous media with different reagents (HCl/AcOH,...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

New Magnetic Fe Oxide-Carbon Based Acid Catalyst Prepared from Bio-Oil for Esterification Reactions
In this work, bio-oil (an organic matrix rich in oxygen functionalities) was used to efficiently dissolve and disperse Fe3+ which upon thermal treatment produced a carbon containing dispersed and encapsulated Fe oxide magnetic nanoparticles. These materials were prepared by dissolution of 8, 16 and 24 wt.% Fe3+ salt in bio-oil followed by treatment at 400, 450, 500 or 600 ºC in N2 atmosphere. X-ray diffraction (XRD), scanning (SEM) and transmission electron microscopies (TEM), elemental analysis, thermogravimetric-mass spectrometry (TG-MS), potentiometric titration, Raman and Mössbauer spectroscopies showed that Fe3+ spe...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

New Insights into the Partitioning of Phenothiazine Dyes in Aqueous Two-Phase Systems
Aqueous two-phase systems (ATPSs) have proven to be efficient and environmentally safe methods for extracting chemical species. However, the driving forces behind the partition of solutes in these systems are still little understood. A complete thermodynamic partitioning of phenothiazine dyes was investigated in poly(ethylene oxide) (PEO) + salt + water ATPSs. Standard transfer parameters (Gibbs free energy change ( Δ trG º), enthalpy change ( Δ trH º) and entropy change (T Δ trS º)) were evaluated, and their dependence on the dye structure, electrolyte nature and tie line length (TLL). All phenothiazine dyes are con...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

1H NMR and Chemometric Methods to Estimate the Octane Number in Brazilian C Gasolines
Brazilian gasoline type C can be purchased with octane number as the main difference. This quality parameter directly affects the price. Intermediate formulations may not be easily distinguished from conform samples due to similarity in visual appearance and physicochemical properties. The use of anhydrous ethanol as an additive also influences the octane values of the product. In this context, the present study describes the use of 1H nuclear magnetic resonance spectroscopy (1H NMR) associated with chemometrics in the characterization and distinction of gasolines by different octane number. Conform samples of common, prem...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

Copaifera multijuga, Copaifera pubiflora and Copaifera trapezifolia Oleoresins: Chemical Characterization and in vitro Cytotoxic Potential against Tumoral Cell Lines
Copaifera species (Fabaceae) comprises approximately 70 species of large trees, from which 16 can be found in Brazil. The oleoresins obtained from their trunk are widely used in Brazilian folk medicine, which display important antitumoral potential. Chemically, these oleoresins are mainly composed of a mixture of sesquiterpenes and diterpenes. In this paper we are describing the isolation and identification of 12 already known terpenes from oleoresins obtained from three different Copaifera species (C. multijuga, C. pubiflora and C. trapezifolia) and 2 novel diterpenes (ent-16-hidroxy-3,13 clerodadien-15,18-dioic acid and ...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

New Diesters Derived from Piperine: in silico Study and Evaluation of Their Antimicrobial Potential
Piperine, previously extracted from black pepper (Piper nigrum L.), was used as a precursor for the synthesis of twelve new diester derivatives. The final products were obtained through the bimolecular nucleophilic substitution reaction (SN2) of the alkyl 2-chloroacetates and the salt of piperic acid, obtained from the basic hydrolysis of piperine. The compounds were synthesized with yields of 55-84% and characterized by infrared spectroscopy and 1H and 13C nuclear magnetic resonance. The evaluation of the compounds ’ potential as new drug candidates was done through an in silico study of ADME properties (absorption, di...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

Evaluation of the Oxidation Degradation Process of Biodiesel via 1H NMR Spectroscopy
Biodiesel is a suitable alternative to replace the petro-diesel. The biodiesel is formed by unsaturated esters easily degraded by interferences of oxygen, temperature, contact with metals or contaminants. The aim of this research was to investigate the biodiesel degradation process via 1H nuclear magnetic resonance (NMR) spectroscopy, observing the olefinic, bis-allylic and allylic protons signals of the chemical bonds, and by the induction period of the Rancimat. Biodiesel samples with metallic ions (Fe and Cu) and with rosemary natural extract were analyzed. The metal compounds showed a catalytic effect in the samples an...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

Biodegradation of the Pyrethroid Pesticide Esfenvalerate by a Bacterial Consortium Isolated from Brazilian Savannah
New biocatalysts for bioremediation techniques are necessary nowadays. Therefore, a bacterial consortium isolated from Brazilian Savannah was employed for biodegradation of 100 mg L-1 esfenvalerate in liquid culture medium. The bacterial consortium (Lysinibacillus xylanilyticus CBMAI2085, Bacillus cereus CBMAI2067, Lysinibacillus sp. CBMAI2051 and Bacillus sp. CBMAI2052) biodegraded this pyrethroid efficiently. The assays were conducted in triplicate, and after 12 days, 90% of the pesticide was degraded producing 3-phenoxybenzoic acid (35.0 ± 3.1 mg L-1) and 2-(4-chlorophenyl)-3-methylbutanoic acid (34.0 ± 2.8 mg L-1). T...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research

Synthesis of ZnO Nanoparticles by the Sol-Gel Protein Route: A Viable and Efficient Method for Photocatalytic Degradation of Methylene Blue and Ibuprofen
The photocatalytic degradation of methylene blue dye and ibuprofen drug was studied in the presence of zinc oxide, synthetized by the protein sol-gel route. The catalyst, calcined at 1000 ºC, presented a tendentious morphology to filaments characteristic of ZnO crystalline, characterized by X-ray diffraction (XRD) and confirmed by the presence of Zn energy band in X-ray photoelectron spectrometer (XPS). The result of ultraviolet (UV) light photodegradation of this work is comparable to others that made use of more complex routes, considering the degradation of 97% of methylene blue dye solution and the solution of the ib...
Source: Journal of the Brazilian Chemical Society - July 27, 2020 Category: Chemistry Source Type: research