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31.
Wagner B. De Almeida Hélio F. Dos Santos Patrick J. O'Malley 《Structural chemistry》1995,6(6):383-389
The potential energy surface (PES) for the herbicide diuron (DCMU), a photosystem II inhibitor, has been extensively investigated using the quantum-mechanical semiempirical molecular orbital methods AM1 and PM3 and molecular mechanics method. A detailed conformational search has been carried out which revealed the occurrence of four genuine minimum energy structures. The relative stability of the conformers and rotational barriers to conformational interconversion were evaluated using distinct theoretical approaches. The results showed that thetrans form of the diuron molecule is more stable than thecis form in all methods, and so it may possibly be the biologically active isomer. 相似文献
32.
Ligia Bicudo de Almeida Marilene De Vuono Camargo Penteado George Britton Peter Uebelhart Murat Acemoglu Conrad Hans Eugster 《Helvetica chimica acta》1988,71(1):31-32
The 5,6:5′,6′-diepoxy-5,6:5′,6;-tetrahydro-β,β-carotene, isolated from tubers of a white-fleshed variety of sweet potato (Ipomoea batatas LAM .) has been assigned the (5R,6S,5′R,6′S)-chirality on the basis of its HPLC, UV/VIS, and CD data. 相似文献
33.
Factorial design in the optimization of preconcentration procedure for lead determination by FAAS 总被引:1,自引:0,他引:1
The present paper proposes a preconcentration procedure for lead determination using flame atomic absorption spectrometry (FAAS). It is based on lead(II) ions extraction as brilliant cresyl blue (BCB) complex and its sorption onto Diaion HP-2MG, a methacrylic ester copolymer. The optimization step was carried out using factorial design and the variables studied were pH, shaking time and reagent concentration. In the established experimental conditions, lead can be determinate with a limit of detection of 3.7 μg L−1 lead (N = 20) and a relative standard deviation of 7% for a lead concentration of 100 μg L−1. The accuracy was confirmed by analysis of a certified reference material, the stream sediment furnished by National Research Centre for Certified Reference Materials (NRCCRM), China (GBW 07310). Effect of other ions in the procedure proposed was also studied. The method was applied for lead determination in real samples of water, tea, soil and dust. Tests of addition/recovery in the experiments for lead determination in water samples revealed that the proposed procedure could be applied satisfactorily for analysis of these samples. 相似文献
34.
Fontana José D. Almeida Eduardo R. A. Baron Madalena Guimaraes Manoel F. Deschamps Francisco C. Schwartsmann Gllberto Cervi Armando C. Zanette Flávio Vilegas Janete LanÇas Fernando M. 《Applied biochemistry and biotechnology》1994,(1):295-313
The acetogenins are strongly bioactive natural compounds present in the bark, roots, leaves, and seeds of manyAnnonaceae plants. They are modified fatty acids and their cytotoxicities have been determined for different biological models including
the in vitro growth inhibition of several human cancer cell lines.
Very low acetogenin yield (< 0.1 g%) has been found previously in native phytobiomass, and we have now investigated the nonpredatory
exploitation of the seeds as acetogenin sources characterizing the seed triacylglycerols (dominant fraction; > 90% of the
whole lipid extracts) as potential valuable by-products. 相似文献
35.
Jos Roberto Berretta Wagner de Rossi Maurício David Martins das Neves Ivan Alves de Almeida Nilson Dias Vieira Junior 《Optics and Lasers in Engineering》2007,45(9):960-966
The technique to weld AISI 304 stainless steel to AISI 420 stainless steel with a pulsed Nd:YAG laser has been investigated. The main objective of this study was to determine the influence of the laser beam position, with respect to the joint, on weld characteristics. Specimens were welded with the laser beam incident on the joint and moved 0.1 and 0.2 mm on either side of the joint. The joints were examined in an optical microscope for cracks, pores and to determine the weld geometry. The microstructure of the weld and the heat affected zones were observed in a scanning electron microscope. An energy dispersive spectrometer, coupled to the scanning electron microscope, was used to determine variations in (weight %) the main chemical elements across the fillet weld. Vickers microhardness testing and tensile testing were carried out to determine the mechanical properties of the weld. The results of the various tests and examinations enabled definition of the best position for the incident laser beam with respect to the joint, for welding together the two stainless steels. 相似文献
36.
Sara Silva Joana Marto Lídia M. Gonalves Henrique S. Fernandes Srgio F. Sousa Antnio J. Almeida Nuno Vale 《Molecules (Basel, Switzerland)》2022,27(9)
Functionalization of nanoparticles surfaces have been widely used to improve diagnostic and therapeutic biological outcome. Several methods can be applied to modify nanoparticle surface; however, in this article we focus toward a simple and less time-consuming method. We applied an adsorption method on already formulated nanostructured lipid carriers (NLC) to functionalize these nanoparticles with three distinct peptides sequences. We selected a cell-penetrating peptide (CPP), a lysine modified model amphipathic peptide (Lys(N3)-MAP), CPP/drug complex, and the neuropeptide Y. The aim of this work is to evaluate the effect of several parameters such as peptide concentration, different types of NLC, different types of peptides, and incubation medium on the physicochemical proprieties of NLC and determine if adsorption occurs. The preliminary results from zeta potential analysis indicate some evidence that this method was successful in adsorbing three types of peptides onto NLC. Several non-covalent interactions appear to be involved in peptide adsorption with the possibility of three adsorption peptide hypothesis that may occur with NLC in solution. Moreover, and for the first time, in silico docking analysis demonstrated strong interaction between CPP MAP and NPY Y1 receptor with high score values when compared to standard antagonist and NPY. 相似文献
37.
38.
F. L. Oliveira P. C. Huber W. P. Almeida J. R. Sabino R. Aparicio 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(2):119-122
The ZnII center in the dicationic complex of the title compound, [Zn(C10H7N3S)3](NO3)2·0.5C2H5OH·H2O, is in a distorted octahedral environment with imperfect noncrystallographic C3 symmetry. Each 2‐(1,3‐thiazol‐2‐yl)‐1H‐benzimidazole ligand coordinates in a bidentate manner, with the Zn—N(imidazole) bond lengths approximately 0.14 Å shorter than the Zn—N(thiazole) bond lengths. Charge‐assisted hydrogen bonds connect cations, anions and water molecules. A lattice void is occupied by an ethanol solvent molecule disordered about a crystallographic inversion center and π‐stacking is observed between one type of symmetry‐related benzene rings. 相似文献
39.
AbstractWe report here an improved, highly efficient, and general method for the ligand-free Suzuki cross-coupling reaction to the synthesis of biaryls, bipyridyls, thienylpyridine, and allylphenols. Microwave irradiation of (het)aryl halides and (hetaryl, allyl)arylboronic acid N-methyl-iminodiacetic acid (MIDA) ester, using polyurea microencapsulated palladium catalyst (Pd EnCat 30), gave the coupling adducts 1a–x in excellent yields in just 10–18 min. 相似文献
40.
Machado Poliana A. L. Cavalcanti Marcello H. S. Silva Fábio A. B. de Almeida Eduardo T. Cardoso Marcus V. C. Mesquita Anderson F. Lemes Nelson H. T. Virtuoso Luciano S. 《Journal of solution chemistry》2022,51(3):320-344
Journal of Solution Chemistry - Liquid–liquid equilibrium (LLE) data and phase diagrams for new aqueous two-phase systems (ATPSs) containing 1-butyl-3-methylimidazolium chloride... 相似文献