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排序方式: 共有112条查询结果,搜索用时 15 毫秒
1.
A three-step synthesis of grisan (spiro[benzofuran-2(3H)-1′-cyclohexane]), using methoxymethoxybenzene and 1-chloromethylcyclohexene as starting materials, is described. 相似文献
2.
Teodoro Espinosa-Solares John Bombardiere Mark Chatfield Max Domaschko Michael Easter David A. Stafford Saul Castillo-Angeles Nehemias Castellanos-Hernandez 《Applied biochemistry and biotechnology》2006,132(1-3):959-968
Intensive poultry production generates over 100,000 t of litter annually in West Virginia and 9×106 t nationwide. Current available technological alternatives based on thermophilic anaerobic digestion for residuals treatment
are diverse. A modification of the typical continuous stirred tank reactor is a promising process being relatively stable
and owing to its capability to manage considerable amounts of residuals at low operational cost. A 40-m3 pilot plant digester was used for performance evaluation considering energy input and methane production. Results suggest
some changes to the pilot plant configuration are necessary to reduce power consumption although maximizing biodigester performance. 相似文献
3.
Roberto Acevedo Teodoro Meruane Jorge R. Letelier 《Theoretical chemistry accounts》1984,64(5):339-369
The theory of radiative transitions, in centrosymmetric complexes, is examined in great detail, within the framework of the crystal field method.In connection with radiative transitions, the current method of calculations, with and without invoking closure approximation, are considered from a purely theoretical point of view, by taking advantage of the irreducible tensor method put forward by Griffith.Explicit equations are derived throughout the course of this work to account for the vibronic electric dipole moments, associated with d-d and f-f type of excitations.At high Academy of Pedagogic Sciences, Santiago, Chile. 相似文献
4.
Castellano PM Vignaduzzo SE Maggio RM Kaufman TS 《Analytical and bioanalytical chemistry》2005,382(7):1711-1714
A new, repeatable, and rapid method has been developed for resolution of binary mixtures of acetaminophen and diclofenac with minimum sample pretreatment and without separation of the analytes. The method, based on the PLS1 processing of absorbance data in the UV region, was successfully used for quantification of the drug content of three tablet preparations. The results obtained were in good agreement with HPLC recovery data. The method also enabled determination of drug-dissolution profiles of these commercial tablets, by simultaneous determination of both analytes during the dissolution test. 相似文献
5.
Adriana Aniceto Julia Montenegro Rafael da Silva Cadena Anderson Junger Teodoro 《Molecules (Basel, Switzerland)》2021,26(2)
Amazonian fruits are excellent sources of bioactive compounds and can be used in beverages to improve the nutritional and sensorial characteristics. The present study aimed to develop a blend of murici (Byrsonima Crassifolia (L.) Kunth) and taperebá (Spondias Mombin L.) through experimental design and investigating the nutritional and sensorial characteristics of fruits and beverages. The murici was highlighted as higher vitamin C content (58.88 mg · 100 g−1) compared to taperebá (25.93 mg · 100 g−1). The murici and taperebá are good sources of total phenolic compounds (taperebá 1304.15 ± 19.14 mgGAE · 100 g−1 and the murici of 307.52 ± 19.73 mg GAE · 100 g−1) and flavonoids (174.87 ± 1.76 μgQE/g and 129.46 ± 10.68 μgQE/g, murici and taperebá, respectively), when compared to other Brazilian fruits. The antioxidant capacity in different methods revealed that the taperebá had a higher average in the results, only in the ORAC method and did not present a significant difference (p > 0.05) in relation to the murici. The beverage development was performed using experimental design 23, showed through sensory analysis and surface response methodology that murici and high sugar content (between 12.5 and 14.2% of sugar) influenced in sensory acceptance. Our findings indicate that beverages with improved nutrition and a sensory acceptance can be prepared using taperebá and murici fruits. 相似文献
6.
A concise, two-step eco-friendly approach towards the synthesis of 5-sulfenyl tetrazole derivatives of indoles and pyrroles, is reported. The synthesis comprises the oxone-mediated thiocyanation of the starting heterocycles towards intermediate 3-thiocyanato indoles and 2-thiocyanato pyrroles, and their subsequent treatment with sodium azide in 2-propanol/water under zinc bromide promotion. 相似文献
7.
Ana G. Silva Nenad BundaleskiAugusto M.C. Moutinho Orlando M.N.D. Teodoro 《Applied Surface Science》2012,258(6):2006-2009
Water adsorption dynamics on two TiO2 (1 1 0) rutile surfaces at room temperature has been investigated using the work function (WF) change as a function of time. The first surface was prepared in a standard way using sputtering/annealing cycles, whereas the second one was long term annealed at 620 K in moderate vacuum conditions (the residual gas pressure of about 1 × 10−7 mbar) and cleaned afterwards. The WF change show striking difference as compared to those obtained for highly reduced TiO2 (1 1 0) rutile or the (2 × 1) reconstructed surfaces. For the first kind of surface we show that the observed adsorption dynamics can be qualitatively explained by the present understanding of the water adsorption on non-reconstructed TiO2 (1 1 0) rutile surface according to which the bridging oxygen vacancies and Ti rows are the main adsorption sites. Although generally similar to the former results, water adsorption dynamics on the second kind of the surface has an additional feature that can be only explained by a new adsorption site, which we suggest to be due to (2 × 1) reconstructed regions coexisting with the non-reconstructed TiO2 (1 1 0) surface. 相似文献
8.
To clarify the role played by water in facilitating long-range DNA charge transport, carefully designed, state-of-the-art, self-interaction corrected density-functional quantum mechanical and molecular mechanical (SIC-QM/MM) simulations are performed for the first time on two ionized adenine:thymine bridge models in explicit water solvent at finite temperature. For random solvent configurations, the charge is partially delocalized. However, a charge localization on different, well-separated adenines can be induced and is correlated with a restructuring of their first solvation shells. Thus, the importance of water in the mechanism of long-range charge transport is explicitly demonstrated, and the microscopic conditions for a charge localization are revealed. 相似文献
9.
Stephanie A. Grimmel Tiago Q. Teodoro Lucas Visscher 《International journal of quantum chemistry》2020,120(21):e26111
Frozen density embedding (FDE) theory is one of the major techniques aiming to bring modeling of extended chemical systems into the realm of high accuracy calculations. To improve its accuracy it is of interest to develop kinetic energy density functional approximations specifically for FDE applications. In the study reported here we focused on optimizing parameters of a generalized gradient approximation-like kinetic energy functional with the purpose of better describing electron excitation energies. We found that our optimized parametrizations, named excPBE and excPBE-3 (as these are derived from a Perdew-Burke-Ernzerhof-like parametrization), could not yield improvements over available functionals when applied on a test set of systems designed to probe solvatochromic shifts. Moreover, as several different functionals yielded very similar errors to the simple local-density approximation (LDA), it is questionable whether it is worthwhile to go beyond the LDA in this context. 相似文献
10.
Pedro Miguel Lima M. Filomena Teodoro Neville J. Ford Patricia M. Lumb 《Numerical Algorithms》2010,55(2-3):301-320
This paper is devoted to the approximate solution of a linear first-order functional differential equation which involves delayed and advanced arguments. We seek a solution x, defined for t?∈?(0, k???1],(k?∈?IN ), which takes given values on the intervals [???1, 0] and (k???1, k]. Continuing the work started in previous articles on this subject, we introduce and analyse a computational algorithm based on the finite element method for the solution of this problem which is applicable both in the case of constant and variable coefficients. Numerical results are presented and compared with the results obtained by other methods. 相似文献