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21.
The laccase catalyzed oxidative dimerization of salicylic esters, a rare example of a laccase-catalyzed carbon-carbon bond formation, was studied. This reaction allows the use of air as stoichiometric oxidant and proceeds in aqueous solution. The preparative scope and the mechanism of the method, which provides a new and convenient access to functionalized biaryls under mild conditions, were investigated. 相似文献
22.
QI Yuanhua GUAN Daren & LIU Chengbu . Institute of Theoretical Chemistry Shandong University Jinan China . School of Physics Microelectronics Shandong University Jinan China 《中国科学B辑(英文版)》2006,49(6):492-498
The density functional theory (DFT) combining with the non-equilibrium Green functions (NEGF) method is applied to the study of the electronic transport properties for a Di-thiol-benzene (DTB) molecule coupled to two Au(111) surfaces. The dependence of the transport properties on the bias, the coupling geometry of the molecule-electrode interface, and the intermolecular interaction are examined in detail. The results show that the existence of the hydrogen atom at the end of the DTB molecule would significantly decrease the transmission coefficients, and then the differential conductance (dI/dV). By changing the position of the DTB molecule located between two electrodes a maximum value of calculated current is observed. It is also found that the intermolecular interaction will strongly influence the transport properties of the system studied. 相似文献
23.
C. Brenier-Maurel C. Delaurent G. Pages M. -C. Guilhem A. M. Siouffi 《Chromatographia》2002,56(5-6):277-282
Summary An optimization procedure for the separation of flavonoids from St John's Wort by reversed-phase high-performance liquid chromatography
on monolithic stationary phase is described. Three-component mobile phase systems are studied using experimental design methodology.
The starting experimental domain is a triangle, each vertex of which is a pure component. From preliminary isocratic experiments,
truncations in the domain are performed leading to a quadrilateral shape working domain with no symmetry. To cope with both
separation and analysis time, desirability functions are used. Optimal conditions are finally given by binary systems and
the four flavonoids are separated in less than seven minutes. 相似文献
24.
The technique of three-phase partitioning (TPP) was used to purify the green fluorescent protein (GFP) in a single step. TPP uses a combination of ammonium sulphate and tert-butanol to precipitate proteins from their crude extracts. In the first round of TPP with 20% ammonium sulphate saturation at the ratio of crude to tert-butanol 1:1 (v/v), most of the GFP remains in the lower aqueous phase. When subjected to a second round of TPP with 60% ammonium sulphate saturation at the ratio of crude to tert-butanol 1:2 (v/v) gives 78% recovery of GFP with a 20-fold purification. The sodium dodecyl sulphate-polyacrylamide gel electrophoretic (SDS-PAGE) analysis of purified preparation shows single band. The fluorescence excitation and emission spectra agreed with values reported in literature. 相似文献
25.
26.
Feasibility study for the use of near infrared spectroscopy in the qualitative and quantitative analysis of green tea, Camellia sinensis (L.) 总被引:1,自引:0,他引:1
J. Luypaert 《Analytica chimica acta》2003,478(2):303-312
This paper indicates the possibility to use near infrared spectroscopy (NIR) combined with PLS as a rapid method to estimate the quality of green tea. NIR is used to build calibration models to predict the content of caffeine, epigallocatechin gallate (EGCG) and epicatechin (EC) and for the prediction of the total antioxidant capacity of green tea. For the determination of the total antioxidant capacity, the trolox equivalent antioxidant capacity (TEAC) method is used. Until now, the prediction of the antioxidant capacity as such by use of NIR has not been reported. For caffeine and TEAC, models are build for the whole green tea leaves and also for the ground leaves. For the polyphenols (EGCG and EC), only models for the whole leaves are investigated. A partial least squares (PLS) algorithm is used to perform the calibration. To decide upon the number of PLS factors included in the PLS model, the model with the lowest root mean square error of cross-validation (RMSECV) for the training set is chosen. The correlation coefficient (r) between the predicted and the reference results for the test set is used as an evaluation parameter for the models: for the TEAC results r=0.90 for the model with the whole leaves, r=0.86 for the model with the powdered leaves are obtained. The caffeine prediction model has a correlation coefficient r=0.96 for the whole leaves and r=0.93 for the ground leaves. The correlation coefficient for the EGCG and the EC content models are, respectively 0.83 and 0.44. 相似文献
27.
Systematic studies were performed on SnCl2-mediated carbonyl allylation reaction between aldehydes and allyl halides in fully aqueous media. Totally three valuable reaction systems were discovered, which were SnCl2/CuCl2, SnCl2/TiCl3, and SnCl2/PdCl2. They all provided good to excellent yields in the allylation of aliphatic and aromatic aldehydes under very mild and convenient conditions. SnCl2, by itself, was also found to be effective for the allylation reaction when allyl bromide was employed. However, the SnCl2-only reaction could only tolerate very small amount of water as the solvent. The SnCl2/CuCl2, SnCl2/TiCl3, and SnCl2/PdCl2-mediated reactions exhibited good regioselectivity favoring the γ-adduct when cinnamyl halides were employed as the allylation reagent. The same reactions with cinnamyl halides also showed good diastereoselectivity favoring the anti-product. Mechanistic studies using proton NMR techniques suggested that the additive (i.e., CuCl2, TiCl3, PdCl2) could accelerate the formation of allyltin intermediate, but this step was shown not to be the most important for the allylation. Thus we proposed that the Lewis acid catalysis effect exerted by the additive was the main reason for the observed reactivity enhancement. 相似文献
28.
《Arabian Journal of Chemistry》2022,15(2):103624
Biomass energy is the most acknowledged renewable resource due to its universality, richness, and renewability. This study utilized a Portulaca oleracea L. plant as a natural colorant for wool fabric dyeing with a high color yield at optimum extraction and dyeing conditions. To evaluate the dyeing mechanism and feasibility of the extracted dyes, we analyzed and characterized the molecular structure and nano-level particle size. The dyeing kinetics and the morphology of dyed fabrics were integratedly explored; the adsorption process of wool fabric on natural colorant molecules was increasingly in line with the pseudo-second-order kinetic adsorption model. Further, the dyeing effects of wool fabrics were compared to that of Musa basjoo mordant and synthetic dyes to confirm the superior color depth (K/S value 23.53), biological function as anti-ultraviolet (UPF value 253.47), and anti-bacterial activity (antibacterial rate of Staphylococcus aureus/Escherichia coli was 71.3%/37%). Our findings provide a feasible scheme for providing deep color and biological activity to wool fabrics. This has broad application prospects in the field of eco-friendly textile materials. 相似文献
29.
Fatemeh F. Bamoharram Majid M. Heravi Mina Roshani Ali Gharib Manouchehr Jahangir 《中国化学会会志》2007,54(4):1017-1020
Synthesis of aspirin at room temperature via O‐acetylation of salicylic acid in the presence of Preyssler type heteropolyacids has been investigated in order to contribute toward clean technology, which is the most important need of the society. All of the catalysts are recyclable and reusable. 相似文献
30.
Ksenia Shilyaeva Nils Elander Evgeny Yarevsky 《International journal of quantum chemistry》2007,107(6):1301-1315
Peaks in collision cross sections are often interpreted as resonances. The complex dilation method, as well as other methods relying on analytic continuation of the scattering formalism, can be used to clarify whether these structures are true resonances in the sense that they are poles of the S‐matrix and the associated Green function. The performance of the Mittag–Leffler expansion and T‐matrix Green function expansion methods are formally and computationally compared. The two methods are applied to two model potentials. Eigenenergies, s‐wave residues, and cross sections are computed with both methods. The resonance contributions to the cross sections are further analyzed by removing the residue contributions from the Mittag–Leffler and Green function expansion sums, respectively. It is suggested that the contribution of a resonance to a cross section should be defined through its S‐matrix residue. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献