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31.
32.
Gomes João Pedro Agra Mourão Eduard David Simões dos Anjos Janaina Versiani de Alencar Filho Edilson Beserra 《Structural chemistry》2020,31(6):2501-2512
Structural Chemistry - In this paper, we present a quantitative structure–activity relationships modelling for two series of heterocyclic synthetic compounds with larvicidal activity against... 相似文献
33.
Elias Salomão Helou Sandra A. Santos Lucas E. A. Simões 《Journal of Optimization Theory and Applications》2017,175(1):137-157
The gradient sampling method is a recently developed tool for solving unconstrained nonsmooth optimization problems. Using just first-order information about the objective function, it generalizes the steepest descent method, one of the most classical methods for minimizing a smooth function. This study aims at determining under which circumstances one can expect the same local convergence result of the Cauchy method for the gradient sampling algorithm under the assumption that the problem is stated by a finite max-function around the optimal point. Additionally, at the end, we show how to practically accomplish the required hypotheses during the execution of the algorithm. 相似文献
34.
35.
Jelem Restrepo José Salazar Simón E. López 《Phosphorus, sulfur, and silicon and the related elements》2013,188(12):2311-2320
Abstract We describe a rapid and convenient methodology for the preparation of diverse 3-aryl and 3-trifluoromethyl 4H-1,2,4-benzothiadiazine-1,1-dioxides in a one-pot microwave-promoted reaction between 2-aminobenzenesulfonamides and benzaldehydes, trifluoroacetic acid or benzoic acids. GRAPHICAL ABSTRACT 相似文献
36.
In this paper the affine connection approach will be used to calculate the elastic constants of nematic liquid crystals. Following this approach, which was originally conceived to compute the nematic viscosity coefficients, an expression for the elastic constants, without adjustable free parameters, will be formulated in terms of a temperature dependent metric, whose non‐isotropic part is proportional to the tensorial order parameter of the nematic phase. The dependence of the elastic constants on the scalar order parameter, in the geometry of the nematic molecules, and in the anisotropic part of the molecular interaction, will be determined. 相似文献
37.
Erzsébet P. Gere Barna Bérczi Péter Simándi Gyula Wittmann András Dombi 《International journal of environmental analytical chemistry》2013,93(7):443-450
The kinetics of the reactions of H 2 O 2 and of methyl, ethyl, tert -butyl, and cumene hydroperoxides with I m were investigated in the presence and absence of molybdate as catalyst. These results were utilized to develop an analytical method for the simultaneous determination of H 2 O 2 and organic hydroperoxides in aqueous solutions. The total amount of H 2 O 2 and organic hydroperoxides can be determined by the spectrophotometric measurement of $ {\rm I}_3^ - $ formed quantitatively during 30 min of heating at 60°C. Catalase selectively decomposes H 2 O 2 in solutions containing organic hydroperoxides. The total amount of the latter can therefore be determined iodometrically after H 2 O 2 decomposition. In the oxidation of leuco crystal violet to crystal violet by H 2 O 2 and organic hydroperoxides, horseradish peroxidase exerts similar activities in the reactions involving methyl and ethyl hydroperoxides and H 2 O 2 , but its activity is much lower with tert -butyl and cumene hydroperoxide. It was observed that acetate buffer is unsuitable for pH adjustment in this type of hydroperoxide determination in consequence of the slow oxidation of the dye in the blank solution. 相似文献
38.
Suk-Ku Kang Hyun-Sung Cho Hyeong-Su Sim Beon-Kyu Kim 《Journal of carbohydrate chemistry》2013,32(6):807-812
Abstract In connection with our projects on the synthesis of biologically active 5-hydroxyalkan-4-olides which have a chiral 2.3-diol unit,1 we have carried out the synthesis of (4R,5S)-(?)- and (4R,5S)-(+)-L-factors (1).2 the proposed autoregulators from Streptomyees griseus, and muricatacin (2),3 a biologically active constituent from the seeds of Annona muricata L. via 2.3-dihydroxy aldehydes derived from D-glucose. Hex-3-enofuranose4 was prepared by the elimination of thetriflate derived from D-glucose. 相似文献
39.
Hyun Ook Seo Dae Han Kim Kwang-Dae Kim Eun Ji Park Chae Won Sim Young Dok Kim 《Adsorption》2013,19(6):1181-1187
Adsorption and desorption of toluene on bare and TiO2-coated silica with a mean pore size of 15 nm under dry and humid conditions were studied using toluene breakthrough curves and temperature programmed desorption (TPD) of toluene and CO2. Two TiO2/silica samples (either partially or fully covered with TiO2) were prepared with 50 and 200 cycles of TiO2 atomic layer deposition (ALD), respectively. The capacity of silica to adsorb toluene improved significantly with TiO2-thin film coating under dry conditions. However, toluene desorption from the surface due to displacement by water was more pronounced for TiO2-coated samples than bare samples under humid conditions. In TPD experiments, silica with a thinner TiO2 film (50-ALD cycled) had the highest reactivity for toluene oxidation to CO2 both in the absence and presence of water. Toluene adsorption and oxidation reactivity of silica can be controlled by modifying the silica surface with small amount of TiO2 using ALD. 相似文献
40.
Cristina García‐Simón Marc Garcia‐Borràs Dr. Laura Gómez Dr. Isaac Garcia‐Bosch Dr. Sílvia Osuna Prof. Marcel Swart Dr. Josep M. Luis Prof. Concepció Rovira Prof. Manuel Almeida Dr. Inhar Imaz Prof. Daniel Maspoch Dr. Miquel Costas Dr. Xavi Ribas 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(4):1445-1456
The metal‐directed supramolecular synthetic approach has paved the way for the development of functional nanosized molecules. In this work, we report the preparation of the new nanocapsule 3? (CF3SO3)8 with a A4B2 tetragonal prismatic geometry, where A corresponds to the dipalladium hexaazamacrocyclic complex Pd‐1 , and B corresponds to the tetraanionic form of palladium 5,10,15,20‐tetrakis(4‐carboxyphenyl)porphyrin ( 2 ). The large void space of the inner cavity and the supramolecular affinity for guest molecules towards porphyrin‐based hosts converts this nanoscale molecular 3D structure into a good candidate for host–guest chemistry. The interaction between this nanocage and different guest molecules has been studied by means of NMR, UV/Vis, ESI‐MS, and DOSY experiments, from which highly selective molecular recognition has been found for anionic, planar‐shaped π guests with association constants (Ka) higher than 109 M ?1, in front of non‐interacting aromatic neutral or cationic substrates. DFT theoretical calculations provided insights to further understand this strong interaction. Nanocage 3? (CF3SO3)8 can not only strongly host one single molecule of M(dithiolene)2 complexes (M=Au, Pt, Pd, and Ni), but also can finely tune their optical and redox properties. The very simple synthesis of both the supramolecular cage and the building blocks represents a step forward for the development of polyfunctional supramolecular nanovessels, which offer multiple applications as sensors or nanoreactors. 相似文献