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21.
Sana Jahanshahi‐Anbuhi Kevin Pennings Vincent Leung Dr. Meng Liu Carmen Carrasquilla Dr. Balamurali Kannan Prof. Dr. Yingfu Li Prof. Dr. Robert Pelton Prof. Dr. John D. Brennan Prof. Dr. Carlos D. M. Filipe 《Angewandte Chemie (International ed. in English)》2014,53(24):6155-6158
A simple and inexpensive method is reported for the long‐term stabilization of enzymes and other unstable reagents in premeasured quantities in water‐soluble tablets (cast, not compressed) made with pullulan, a nonionic polysaccharide that forms an oxygen impermeable solid upon drying. The pullulan tablets dissolve in aqueous solutions in seconds, thereby facilitating the easy execution of bioassays at remote sites with no need for special reagent handling and liquid pipetting. This approach is modular in nature, thus allowing the creation of individual tablets for enzymes and their substrates. Proof‐of‐principle demonstrations include a Taq polymerase tablet for DNA amplification through PCR and a pesticide assay kit consisting of separate tablets for acetylcholinesterase and its chromogenic substrate, indoxyl acetate, both of which are highly unstable. The encapsulated reagents remain stable at room temperature for months, thus enabling the room‐temperature shipping and storage of bioassay components. 相似文献
22.
Filipe Belarmino de Lima Gessenildo Pereira Rodrigues Juracy Regis de Lucena Júnior Elizete Ventura Rui Fausto Igor Reva Silmar Andrade do Monte 《International journal of quantum chemistry》2020,120(16):e26263
Multi-reference configuration interaction, MR-CI (including extensivity corrections, named +Q), calculations were performed on the S0–S3 states of cyclohexa-2,4-diene-1-thione (thione 24 ) and cyclohexa-2,5-diene-1-thione (thione 25 ), which are thione isomers of thiophenol. Several types of uncontracted MR-CIS and MR-CISD wavefunctions were employed, comprising MR-CI expansions as large as ~365 × 106 configuration state functions. The nature of the studied excited states was characterized. Vertical excitation energies (ΔE) and oscillator strengths (f) were computed. The most intense transitions (S0 → S2 for 24 and S0 → S3 for 25 ) did not change with the wavefunction, although a variation as large as ~1 eV was obtained for the S3 state of 24 , at the highest (MR-CI+Q) level. On the other hand, ΔE changed at most by ~0.56 eV for 25 as the wavefunction changes, at the same level. The S1 state of both thiones was found to have nπ* character and is in the visible region. For 24 , S2 and S3 are ππ* and nπ* states, respectively, while for 25 the reverse order is obtained. S2 and S3 are in the range ~3.5 to 5.2 eV, again at the highest level. It is the first time that the excited states of the title molecules are studied. The computed results agree with the experimental onset of photoreactions of thiones 24 and 25 found by Reva et al (Phys. Chem. Chem. Phys., 2015 , 17, 4888). 相似文献
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Cláudia M. Morais Valérie Montouillout Michael Deschamps Dinu Iuga Franck Fayon Filipe A. A. Paz João Rocha Christian Fernandez Dominique Massiot 《Magnetic resonance in chemistry : MRC》2009,47(11):942-947
From one‐ to two‐ and three‐dimensional MAS NMR solid‐state experiments involving 31P and 27Al, we show that the structure of microporous alumino‐phosphate AlPO4‐40 contains at least four times more sites than expected, and we attribute two types of AlIV sites. The newly described 27Al‐31P MQ‐HMQC opens new possibilities of describing details of three‐dimensional bounded networks. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
26.
A.M.R. Sousa J. Xavier J.J.L. Morais V.M.J. Filipe M. Vaz 《Optics and Lasers in Engineering》2011,49(12):1402-1412
In this paper, a digital image correlation (DIC) method coupling cross-correlation with spatio-temporal differential techniques was proposed for assessing discontinuous displacement fields. The accuracy and robustness of the algorithm was assessed on a set of numerical tests by processing computer generated speckled-pattern images. Fracture mechanical tests in mode I were considered, in which both in-plane and out-of-plane rigid-body movements were taken into account. The ability for recovering the analytical asymptotic displacement field in mode I was analysed, and stress intensity factor, crack opening displacement and crack tip location were used as quantitative parameters for validation purposes. Throughout these tests, the results obtained with the proposed method were systematically compared to the ones from Aramis DIC-2D commercial code. Globally, the results computed from both methods are in good agreement with reference values. However, due to the high spatial resolution (point-wise characteristic), a better matching of the displacements in the neighbour of discontinuities could be obtained by the proposed method. 相似文献
27.
Alexandre Plastino Hugo Barbalho Luis Filipe M. Santos Richard Fuchshuber Simone L. Martins 《Journal of Heuristics》2014,20(1):39-74
Metaheuristics represent an important class of techniques to solve, approximately, hard combinatorial optimization problems for which the use of exact methods is impractical. Some researches have been combining machine learning techniques with metaheuristics to adaptively guide and improve the search for near optimal solutions. An example of such development is the DM-GRASP, a hybrid version of the Greedy Randomized Adaptative Search Procedures (GRASP) metaheuristic which incorporates a data mining process. In this hybrid proposal, after executing half of the total number of iterations, the data mining process extracts patterns from an elite set of sub-optimal solutions for the optimization problem. These patterns present characteristics of near optimal solutions and can be used to guide the following half GRASP iterations in the search through the solution space. In this work, we explore new versions of the DM-GRASP metaheuristic to experiment, not a single activation, but multiple and adaptive executions of the data mining process during the metaheuristic execution. We also applied the data mining technique into a reactive GRASP to show that a more sophisticated and not memoryless GRASP approach can also benefit from the use of this technique. In order to evaluate these new proposals, we adopted the server replication for reliable multicast problem since the best known results for this problem were obtained by GRASP and DM-GRASP implementations. The computational experiments, comparing traditional GRASP, DM-GRASP, and the new proposals, showed that multiple and adaptive executions of the data mining process can improve the results obtained by the DM-GRASP hybrid metaheuristic—the new proposals were able to find better results in less computational time for the reliable multicast problem. 相似文献
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Mónica S. Estevão Filipe J.S. Duarte Eduarda Fernandes A. Gil Santos M. Manuel B. Marques 《Tetrahedron letters》2012,53(16):2132-2136
Several trifluoromethylated compounds were reacted with indole sodium salt, leading to monofluorinated compounds. The unexpected products formation was rationalized by DFT calculations. 相似文献
30.
Costa M Areias F Castro M Brea J Loza MI Proença F 《Organic & biomolecular chemistry》2011,9(11):4242-4249
A one-pot procedure was developed for the synthesis of novel 3-[amino(methoxy)methylene]-2-oxo-3,4-dihydro-2H-chromen-4-yl)-3-cyanoacetamides and chromeno[3,4-c]pyridine-1-carbonitriles from the reaction of 2-oxo-2H-chromene-3-carbonitriles and cyanoacetamides. These chromene derivatives were identified as new scaffolds for adenosine receptors and the hits 3a, 3c, 5a, and 5b were found. 相似文献