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991.
Gitto R De Luca L Ferro S Agnello S Russo E De Sarro G Chimirri A 《Chemical & pharmaceutical bulletin》2010,58(12):1602-1605
We have previously disclosed that some 6,7-dimethoxyisoquinoline derivatives are able to produce anticonvulsant effects in different animal models of epilepsy. Following these studies this paper describes the synthesis of a small series of new 1-aryl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolines strictly related to previously reported analogues. This novel series of isoquinolines was designed on the basis of well defined structure-active relationship (SAR) information already acquired for this class of anticonvulsant agents. The pharmacological effects of the new synthesized compounds were evaluated against audiogenic seizures in Dilute Brown non-Agouti (DBA/2) mice. The preliminary pharmacological screening led to the identification of a new active molecule the 2-acetyl-1-(4'-methylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (6d) that displayed significant anticonvulsant activity. Computational studies helped to rationalize these obtained pharmacological results. 相似文献
992.
Emilio Marmolejo‐Olea Salvador Pérez‐Esteva 《Mathematical Methods in the Applied Sciences》2013,36(11):1376-1387
The purpose of the paper is to study the asymptotic behavior at infinity of solutions of a perturbed Dirac equation in called k‐monogenic. Every such solution is a solution of the Helmholtz equation with values in a complex Clifford algebra. The main goal is to use the far‐field pattern to characterize the radiating (outgoing) k‐monogenic functions among the radiating solutions of the Helmholtz equation. It will be shown that an algebraic condition characterizes these far‐field patterns. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
993.
Euclidean Minimum Sum-of-Squares Clustering amounts to finding p prototypes by minimizing the sum of the squared Euclidean distances from a set of points to their closest prototype. In recent years related clustering problems have been extensively analyzed under the assumption that the space is a network, and not any more the Euclidean space. This allows one to properly address community detection problems, of significant relevance in diverse phenomena in biological, technological and social systems. However, the problem of minimizing the sum of squared distances on networks have not yet been addressed. Two versions of the problem are possible: either the p prototypes are sought among the set of nodes of the network, or also points along edges are taken into account as possible prototypes. While the first problem is transformed into a classical discrete p-median problem, the latter is new in the literature, and solved in this paper with the Variable Neighborhood Search heuristic. The solutions of the two problems are compared in a series of test examples. 相似文献
994.
995.
Aicart E del Burgo P Llorca O Junquera E 《Langmuir : the ACS journal of surfaces and colloids》2006,22(9):4027-4036
Several experimental techniques (conductivity, zeta potential, transmission electronic microscopy, and steady-state fluorescence spectroscopy) have been used to study the formation of mixed colloidal aggregates consisting of a cationic double-chain surfactant, di-dodecyldimethylammonium bromide (di-C12DMAB), and a single-chain alkyltrimethylammonium bromide with 10 and/or 14 carbon atoms (decyltrimethylammonium bromide, C10TAB, and/or tetradecyltrimethylammonium bromide, C14TAB). Special interest has been devoted to the prevesicle domain, within which the formation of aggregated nanostructures was first reported in our laboratory. For that purpose, studies have been carried out on the very dilute region by means of conductivity experiments, confirming the existence of two critical aggregation concentrations in that concentration domain: the so-called mixed critical aggregate concentration, CAC, and the mixed critical vesicle concentration, CVC. By carrying out TEM experiments on negatively stained samples, we were surprised to find a number of aggregates without a clear aggregation pattern and with a variety of sizes and shapes at concentrations below CAC, where only monomers were expected. However, the nanoaggregates found at concentrations between CAC and CVC, also by TEM microscopy, show a clear and ordered "fingerprint"-like aggregation pattern similar to the liquid-crystalline phases reported for DNA-liposome complexes and/or DNA packed with viral capsids. Finally, at total surfactant concentrations above CVC, the aggregates were confirmed, by means of cryo-TEM micrographs and zeta potential measurements, to be essentially unilamellar spherical vesicles with a medium polydispersity and a net-averaged surface density charge of around 12 x 10(-3) C m(-2). The fluorescence emission of two probes, TNS (anionic) and PRODAN (nonionic), allows for the analysis of the micropolarity and microviscosity of the different microenvironments present in aqueous surfactant solutions where the above-mentioned vesicle and prevesicle aggregates are present. 相似文献
996.
997.
998.
Effect of energy disorder in interfacial kinetics of dye-sensitized solar cells with organic hole transport material 总被引:2,自引:0,他引:2
We describe the kinetic rates for dye regeneration in dye-sensitized solar cells with organic solid hole conductors, taking as a reference the experimental results of Haque et al. (ChemPhysChem 2003, 4, 89). Our model is based on Marcus rates for electron and hole transfer, emphasizing the Gaussian spread of energy levels in the molecular materials involved. We show that the energy disorder implies a broadening of the efficiency of hole transfer with respect to the thermodynamic driving force, as observed experimentally. The model also shows that tunning of the kinetic processes for high efficiency of energy conversion of the solar cell depends critically on the interplay between the reorganization energy and the broadening parameters of the energy distributions. 相似文献
999.
Burgo PD Aicart E Llorca O Junquera E 《The journal of physical chemistry. B》2006,110(46):23524-23539
The formation of spontaneous mixed prevesicles and vesicles consisting of a cationic double-chain surfactant, didecyldimethylammonium bromide (di-C(10)DMAB), and a cationic single-chain alkyltrimethylammonium bromide with 10 and/or 14 carbon atoms (decyltrimethylammonium bromide, C(10)TAB, and/or tetradecyltrimethylammonium bromide, C(14)TAB) has been investigated by means of a series of (i) highly precise experimental techniques, such as conductometry, transmission electronic microscopies (TEM and cryo-TEM), laser Doppler electrophoresis (LDE), and steady-state fluorescence spectroscopy and (ii) theoretical models, such as the DLVO theory and two of its main further modifications, Inoues's and Sogami's models. Two new potentials, based on the combination of DLVO or Inoue potentials with that of Sogami, have been proposed and checked. This theoretical analysis has been carried out not only for the aggregates studied in this work but also for other di-C(m)DMAB + C(n)TAB (m = 10, 12 and n = 10, 12, 14) systems previously reported by us. In respect to the experimental study, special emphasis has been devoted to the prevesicle domain. We have confirmed the existence of two critical aggregation concentrations in the very diluted concentration domain, where the conductivity plot shows a zigzag pattern: the so-called mixed critical aggregate concentration, CAC* and the mixed critical vesicle concentration, CVC*. Contrarily, only CVC* is detected. The pre-CAC* nanoaggregates, with a variety of sizes and shapes, do not show a clear aggregation pattern, but even at such low concentrations a small number of nanoaggregates with a clear and ordered aggregation pattern has been visualized. In the postvesicle domain, the aggregates (vesicles) are unilamellar and spherical with a medium polidispersity and a net averaged surface density charge of around 14 x 10(-3) (pure vesicles) and 24 x 10(-3) C m(-2) (mixed vesicles). The hydrophobicities of the lipidic bilayer and the surface of the vesicles resemble those of media with dielectric constants of around 30 and 75, respectively. Finally, theoretical predictions confirm the stability of the pure and mixed vesicles studied in this work and in other works previously reported. 相似文献
1000.
Guram AS King AO Allen JG Wang X Schenkel LB Chan J Bunel EE Faul MM Larsen RD Martinelli MJ Reider PJ 《Organic letters》2006,8(9):1787-1789
[reaction: see text] New air-stable PdCl(2){P(t)Bu(2)(p-R-Ph)}(2) (R = H, NMe(2), CF(3),) complexes represent simple, general, and efficient catalysts for the Suzuki-Miyaura cross-coupling reactions of aryl halides including five-membered heteroaryl halides and heteroatom-substituted six-membered heteroaryl chlorides with a diverse range of arylboronic acids. High product yields (89-99% isolated yields) and turn-over-numbers (10,000 TON) are observed. 相似文献