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81.
Silla JM Cormanich RA Duarte CJ Freitas MP Ramalho TC Barbosa TM Santos FP Tormena CF Rittner R 《The journal of physical chemistry. A》2011,115(35):10122-10127
Suitable (3)J(H,H) coupling constants and theoretical calculations were used to define the conformational preferences of trans-2-bromoalkoxycyclohexanes (alkoxy = OMe, OEt, O(i)Pr, and O(t)Bu) for the isolated molecule and as a function of the medium. The diaxial conformer was preponderant, or at least similarly populated to the diequatorial form, for the tert-butoxy derivative only, while the diequatorial conformer was prevalent for the remaining alkoxy derivatives (except for the OMe derivative in CCl(4) solution). The conformational behavior of these compounds was analyzed on the basis of classical steric effects and attractive electron delocalizations, by means of natural bond orbital analysis. 相似文献
82.
83.
Taís Vanessa Gabbay Alves Eraldo José Madureira Tavares Fauze Ahmad Aouada Charles Alberto Brito Negrão Marcos Enê Chaves Oliveira Anivaldo Pereira Duarte Júnior Carlos Emmerson Ferreira da Costa José Otávio Carréra Silva Júnior Roseane Maria Ribeiro Costa 《Journal of Thermal Analysis and Calorimetry》2011,106(3):717-724
This paper reports the thermal characterization of polyacrylamide-co-methylcellulose hydrogels and the constituent monomers (acrylamide and methylcellulose). Polymeric materials can be used
to produce hydrogels, which can be natural, synthetic, or a mixture. The hydrogels described here were obtained by free radical
polymerization, in the presence of N,N′-methylene-bis-acrylamide as a cross-linker agent. Four acrylamide concentrations were used for the synthesis of hydrogels:
3.6, 7.2, 14.7, and 21.7% (w/v). The materials so obtained were analyzed by TG, DTG, DSC, and FT-IR. The TG curves of acrylamide
and methylcellulose showed three mass loss events. In DSC curves, the acrylamide exhibited one melting peak at 84.5 °C, and
methylcellulose indicated one exothermic event. Nevertheless, acrylamide was considered more stable than methylcellulose.
The TG curves of the hydrogels exhibited three mass loss events, and on the DSC curves, three endothermic events were observed.
It was verified that the different acrylamide proportions influenced the thermic behavior of hydrogels, and that the authors
considered the 7.2% hydrogel a promising drug carrier system. The absorption bands were well defined, confirming the presence
of the functional groups in the samples. 相似文献
84.
Costa EV Pinheiro ML de Souza AD Barison A Campos FR Valdez RH Ueda-Nakamura T Filho BP Nakamura CV 《Molecules (Basel, Switzerland)》2011,16(11):9714-9720
Phytochemical investigation of the branches of Annona foetida Mart. led to isolation from the CH(2)Cl(2) extract of four alkaloids: Atherospermidine (1), described for the first time in this species, liriodenine (2), O-methylmoschatoline (3), and annomontine (4). Their chemical structures were established on the basis of spectroscopic data from IR, MS, NMR (1D and 2D), and comparison with the literature. Compounds 2-4 showed potent trypanocidal effect when evaluated against epimastigote and trypomastigote forms of Trypanosoma cruzi. 相似文献
85.
86.
Ivana Lula Maria F. Gomes Dorila Piló-Veloso Antonio L.O. de Noronha Hélio A. Duarte Robson A.S. Santos Rubén D. Sinisterra 《Journal of inclusion phenomena and macrocyclic chemistry》2006,56(3-4):293-302
In the present work, inclusion complexes of spironolactone (SP) with β-cyclodextrin (β-CD) in solid phase and aqueous solution were studied by solubility methods, NMR spectroscopy and thermal analysis. The results
showed different kinds of complexations when freeze-drying and kneading methods were used. The freeze-drying product (1:1,
SP:β-CD) showed lower degree of complexation and stability than the (1:2, SP:β-CD) compound obtained by kneading method. The spironolactone molecule was also studied by NMR spectroscopy at 400 MHz. The
chemical shifts of all spironolactone atoms and their inclusion compounds were assigned. Extensive use of 1D and 2D NMR techniques,
including ROESY experiment, allowed verifying the position of the spironolactone molecule inside the cyclodextrin cavity in
both situations. In addition, DFTB-SCC quantum mechanical calculations of the inclusion compounds were performed. The predicted
structural properties are in good agreement with ROESY NMR results. 相似文献
87.
An analytical method, based on separation with gas chromatography (GC) and detection with optical fiber (OF), was used for the separation, detection and quantification of benzene, toluene, ethylbenzene, p-xylene, m-xylene and o-xylene. The use of OF as a detector is based on the variations of the reflected optical power detected when the aromatic compounds eluted from the GC column are sorbed in a thin polymeric film on a single-mode OF. General figures of merit, such as the analytical time, analytical error and analytical performance of GC-OF were similar to those of the classical analytical methods, such as a gas chromatography-flame ionization detector (GC-FID). However, the developed GC-OF method constitutes a much less expensive alternative for the speciation of aromatic hydrocarbons compounds, with high accuracy, and being most suitable for actual monitoring work on confined environments. 相似文献
88.
Marcos Duarte Maia 《General Relativity and Gravitation》1978,9(5):381-385
Some proposed models for a quantum field theory in general relativity are briefly analyzed. Their main difficulties are a consequence of the initial choice of the group of symmetries of the (quantum) field equations. The necessity of selecting space-time isometries in a general covariant theory and the unphysical character of the Poincaré translations in a tangent plane theory are discussed. Starting from some basic requirements, a model is proposed in which the groups of symmetries are derived from the proper homogeneous groups of isometries of the minimal isometric local embedding spaces of space-times.This essay received an honorable mention (1977) from the Gravity Research Foundation-Ed. 相似文献
89.
We use the system-plus-reservoir approach to study the dynamics of a system composed of two independent Brownian particles. We present an extension of the well-known model of a bath of oscillators which is capable of inducing an effective coupling between the two particles depending on the choice made for the spectral function of the bath oscillators. The coupling is nonlinear in the variables of interest, and an exponential dependence on these variables is imposed in order to guarantee the translational invariance of the model if the two particles are not subject to any external potential. The effective equations of motion for the particles are obtained by the Laplace transform method, and, besides recovering all the local dynamical properties for each particle, we end up with an effective interaction potential between them. We explicitly analyze one of its possible forms. 相似文献
90.
A J M Barros J C O Santos S Prasad V D Leite A G Souza L E B Soledade M S B Duarte V D dos Santos 《Journal of Thermal Analysis and Calorimetry》2006,83(2):291-295
The conventional treatments
of effluents containing heavy metals produce significant quantities of byproducts
with recalcitrant characteristics, making necessary looking after alternative
techniques in order to avoid the production of new contaminated residues.
Sorption process of chromium and zinc in vertical columns loaded with sewage
sludge and organic solid waste has been studied in this work. The data from
the TG curves of the two sorbents presented significant differences when they
were submitted to the metal uptake, being noticed the displacement of the
thermal events towards lower temperatures for both types of sorbents studied.
As it was expected, for both sorbents, an increase in the mass of samples
has been observed at the completion of the thermal tests upon metal uptake.
Therefore, these facts demonstrate that during the biosorption process a physico-chemical
interaction took place between sorbents and metals, as it was evidenced by
the more than 100 K increase in the decomposition temperatures as well as
the variation of the ΔH values of the
samples. 相似文献