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21.
García Martínez A de la Moya Cerero S Teso Vilar E García Fraile A Lora Maroto B Díaz Morillo C 《The Journal of organic chemistry》2008,73(17):6607-6614
The study of the stereochemical outcome of the solvolysis of oxaspirocyclopropanated 1-norbornyl triflates is highly interesting since these reactions do not lead to the usual retention or fragmentation products but only synthetically interesting rearranged products are enantiospecifically formed. There is no correlation between the experimental solvolysis rates (ln k) and the B3LYP/6-31G(d)-computed ionization energies (Delta E) of the corresponding bridgehead hydrocarbons in gas phase. However, this work demonstrates the existence of a fair linear correlation between the experimental reaction rates and the PCM//B3LYP/6-31G(d)-computed free ionization energies in solution (Delta G). This theoretically relevant result reveals that the reason for the lack of linearity in gas phase is not the rearrangement of the intermediate carbocations but unspecific solvent effects on the solvolysis rates, accounted for by the PCM model. 相似文献
22.
Helio G. Bonacorso Alexandre P. Wentz Rogério V. Lourega Cleber A. Cechinel Tatiana S. Moraes Alex F. C. Flores Nilo Zanatta Marcos A. P. Martins 《Journal of heterocyclic chemistry》2007,44(1):233-236
23.
Based on the behavior of living beings, which react mostly to external stimuli, we introduce a neural-network model that uses external patterns as a fundamental tool for the process of recognition. In this proposal, external stimuli appear as an additional field, and basins of attraction, representing memories, arise in accordance with this new field. This is in contrast to the more-common attractor neural networks, where memories are attractors inside well-defined basins of attraction. We show that this procedure considerably increases the storage capabilities of the neural network; this property is illustrated by the standard Hopfield model, which reveals that the recognition capacity of our model may be enlarged, typically, by a factor . The primary challenge here consists in calibrating the influence of the external stimulus, in order to attenuate the noise generated by memories that are not correlated with the external pattern. The system is analyzed primarily through numerical simulations. However, since there is the possibility of performing analytical calculations for the Hopfield model, the agreement between these two approaches can be tested—matching results are indicated in some cases. We also show that the present proposal exhibits a crucial attribute of living beings, which concerns their ability to react promptly to changes in the external environment. Additionally, we illustrate that this new approach may significantly enlarge the recognition capacity of neural networks in various situations; with correlated and non-correlated memories, as well as diluted, symmetric, or asymmetric interactions (synapses). This demonstrates that it can be implemented easily on a wide diversity of models. 相似文献
24.
Zanatta N Schneider JM Schneider PH Wouters AD Bonacorso HG Martins MA Wessjohann LA 《The Journal of organic chemistry》2006,71(18):6996-6998
A simple and regiospecific synthesis of 4-alkoxy(amino)-2-trifluoromethyl pyrroles from 5-azido-4-alkoxy(amino)-1,1,1-trifluoro-pent-3-en-2-ones by an aza-Wittig cyclization of aminophosphoranes is described. The structures of the pyrroles and their synthetic intermediates were supported by NMR and HRMS analysis. 相似文献
25.
Martins MA Rossatto M Prola LD Pizzuti L Moreira DN Campos PT Frizzo CP Zanatta N Bonacorso HG 《Ultrasonics sonochemistry》2012,19(2):227-231
The synthesis of 14 novel N-propargylic β-enaminones from the reaction of β-alkoxy vinyltrihalomethyl[carboxyethyl] ketones [R3C(O)CHC(R1)OMe, where R3 = CF3, CCl3, CO2Et and R1 = Me, Et, Pr, Bu, i-Pent, CH2CH2CO2Me] with propargyl amines [R2NHCH2CCH, where R2 = Pr, PhCH2] is reported. Yields, solvents and reaction times needed for reaction completion, by microwave irradiation (MW), conventional thermal heating (TH) and under ultrasound irradiation (US) are compared. The best results were obtained under US irradiation in good to excellent yields (70-93%). 相似文献
26.
Nilo Zanatta Fabio M. da Silva Luciana S. da Rosa Louíse Jank Helio G. Bonacorso Marcos A.P. Martins 《Tetrahedron letters》2007,48(37):6531-6534
A simple one-pot procedure to obtain a series of new 3-alkoxy-3-cyanocarboxylic acids from the reaction of 4-alkoxy-1,1,1-trichloro-but-3-en-2-ones with sodium cyanide is described. 相似文献
27.
Helio G. Bonacorso Marli R. Oliveira Michelle B. Costa Letícia B. Da Silva Arci D. Wastowski Nilo Zanatta Marcos A. P. Martins 《Journal of heterocyclic chemistry》2005,42(4):631-637
A convenient and general method for the regiospecific synthesis of three novel series of 1‐(2‐thenoyl)‐, 1‐(2‐furoyl)‐ and 1‐(isonicotinoyl)‐3‐alkyl(aryl)‐5‐hydroxy‐5‐trifluoromethyl‐4,5‐dihydro‐1H‐pyrazoles, in good yields (53 – 91 %), from the cyclocondensation reactions of 1,1,1‐trifluoro‐4‐alkoxy‐4‐alkyl(aryl)‐but‐3‐en‐2‐ones, where alkyl = H and Me; aryl = ‐C6H5, 4‐CH3C6H4, 4‐CH3OC6H4, 4‐FC6H4, 4‐ClC6H4, 4‐BrC6H4, 4‐NO2CgH4 with 2‐thiophenecarboxylic hydrazide, furoic hydrazide and isonicotinic acid hydrazide, respectively, is reported. Subsequently dehydration reaction of phenyl substituted 2‐pyrazolines with P2O5 furnished the corresponding 1H‐pyrazoles as mixture of regioisomers and in low yields (35 – 36 %). 相似文献
28.
J. M. Ginés M. J. Arias C. Novák P. J. Sánchez-Soto A. Ruiz-Conde E. Morillo 《Journal of Thermal Analysis and Calorimetry》1995,45(4):659-666
The formation of crystalline inclusion complex of triamterene with β-cyclodextrin (β-CD) was studied, evaluating the thermal behaviour and dispersion state of this drug in different types of binary systems. Spray-drying and co-grinding (oscillating mill) mixtures of triameterene with β-CD were prepared in 1∶1 molar ratio. The changes of crystalline properties of original (untreated) triamterene, β-CD, and composites obtained by co-grinding and spray-drying were investigated in comparison with those produced in simple physical mixtures. The thermal behaviour of the different samples was investigated using DTA. X-ray diffraction was applied as a complementary technique. The results have been explained by formation of amorphous drug particles on spray-drying samples and co-grinding or alternatively by means of a solid dispersion formation or a combination of these two. A contamination effect by grinding media was also observed as increasing grinding time. 相似文献
29.
Helio G. Bonacorso Fernando J. Righi Isadora R. Rodrigues Cleber A. Cechinel Michelle B. Costa Arci D. Wastowski Marcos A. P. Martins Nilo Zanatta 《Journal of heterocyclic chemistry》2006,43(1):229-233