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101.
102.
Alexandre Zagdoun Dr. Aaron J. Rossini Dr. Matthew P. Conley Wolfram R. Grüning Martin Schwarzwälder Dr. Moreno Lelli Dr. W. Trent Franks Prof. Dr. Hartmut Oschkinat Prof. Dr. Christophe Copéret Prof. Dr. Lyndon Emsley Dr. Anne Lesage 《Angewandte Chemie (International ed. in English)》2013,52(4):1222-1225
103.
Yanlong He Jianniao TianJuanni Zhang Sheng ChenYixuan Jiang Yanchun ZhaoShulin Zhao 《Analytica chimica acta》2013
In this work, an ultrasensitive fluorescent polarization immunoassay (FPIA) method based on the quantum dot/aptamer/antibody/gold nanoparticles ensemble has been developed for the detection of adenosine triphosphate (ATP). DNA hybridization is formed when ATP is present in the PBS solution containing the DNA-conjugated quantum dots (QDs) and antibody-AuNPs. The substantial sensitivity improvement of the antibody-AuNPs-enhanced method is mainly attributed to the slower rotation of fluorescent unit when QDs-labeled oligonucleotides hybridize with antibody modified the gold nanoparticle. As a result, the fluorescent polarization (FP) values of the system increase significantly. Under the optimal conditions, a linear response with ATP concentration is ranged from 8 × 10−12 M to 2.40 × 10−4 M. The detection limit reached as low as 1.8 pM. The developed work provides a sensitive and selective immunoassay protocol for ATP detection, which could be applied in more bioanalytical systems. 相似文献
104.
Der‐Lii M. Tzou Lin‐Kai Ni Mei‐Man Chen Min‐Chuan Chiou Li‐Chou Chen Shan‐Te Hsu Kuo‐Lung Ku Chien‐Chung Cheng 《中国化学会会志》2013,60(9):1107-1112
Solid‐state Nuclear Magnetic Resonance (ss‐NMR) 13C single‐pulse excitation spectroscopy in combination with the magic‐angle spinning (MAS) technique was applied to a series of Phalaenopsis tissues, including the leaf, sheath, stem, and root, at different growth and spiking periods. Compared with{1H}/13C cross‐polarization MAS spectra, the 13C single‐pulse excitation MAS spectra displayed very distinct spectral patterns, recognizable as fingerprints of the tissues studied. 1Here, we demonstrate that solid‐state 13C single‐pulse excitation NMR spectroscopy provides a direct and robust analytical tool for studying the various tissues of Phalaenopsis in different growth and spiking induction periods. 相似文献
105.
J. Grant Hill 《International journal of quantum chemistry》2013,113(1):21-34
The choice of basis set in quantum chemical calculations can have a huge impact on the quality of the results, especially for correlated ab initio methods. This article provides an overview of the development of Gaussian basis sets for molecular calculations, with a focus on four popular families of modern atom‐centered, energy‐optimized bases: atomic natural orbital, correlation consistent, polarization consistent, and def2. The terminology used for describing basis sets is briefly covered, along with an overview of the auxiliary basis sets used in a number of integral approximation techniques and an outlook on possible future directions of basis set design. © 2012 Wiley Periodicals, Inc. 相似文献
106.
Alexander V. Mitin 《Journal of computational chemistry》2013,34(23):2014-2019
The 2df polarization functions for the modified m6‐31G basis sets of the third‐row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6‐31G, m6‐31G(d,p), and m6‐31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller‐Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6‐31G basis sets as well as with the other similar 641 and 6‐311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6‐31G, m6‐31G(d,p), and m6‐31G(2df,p) basis sets are better in comparison with the performances of the known 6‐31G, 6‐31G(d,p) and 6‐31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc. 相似文献
107.
Xiaogang Yang Bin Li Haizeng Wang Baorong Hou 《Journal of Dispersion Science and Technology》2013,34(5):672-676
The inhibition effect of cetyl trimethyl ammonium bromide (CTAB) on the corrosion of mild steel in 1.0 mol L?1 hydrochloric acid (HCl) has been studied at different temperatures (25–60°C) by weight loss and potentiodynamic polarization methods. The results reveal that CTAB behaves as an effective inhibitor in 1.0 mol L?1 HCl, and the inhibition efficiency increases with the inhibitor concentration. Polarization curves show that CTAB is a mixed-type inhibitor in hydrochloric acid. The results obtained from weight loss and polarizations are in good agreement. The effect of immersion time on corrosion inhibition has also been examined and is discussed. The adsorption of inhibitor on mild steel surface obeys the Langmuir adsorption isotherm equation. Thermodynamic parameters have been obtained by adsorption theory. The inhibition effect is satisfactorily explained by the parameters. 相似文献
108.
Muhammad A. Khosa Syed Sakhawaat Shah 《Journal of Dispersion Science and Technology》2013,34(7):1002-1007
Reactive black 5 (RB-5) dye was removed from a water stream using two cationic surfactants, cetyltrimethylammonium bromide (CTAB) and cetylpyridinium chloride (CPC), via micellar enhanced ultrafiltration. Three membranes with different pore size were used for the determination of rejection coefficient and permeate flux of the solution at 1.5 bar trans-membrane pressure (TMP). The two surfactants (CPC and CTAB) played an almost negligible role in rejection efficiency with 5000 and 10,000 molecular weight cut-off membrane (MWCO), respectively. In this case, high rejection and low permeate flux was the result of a larger molecular size of RB-5 DYE being retained by comparatively smaller sized pores of membrane via ultrafiltration. However, CPC and CTAB surfactants showed 83% and 98% rejection coefficient, respectively, at a concentration greater than their CMC values against 30,000 MWCO. Permeate flux remained low and constant in presence of 5000 and 10,000 MWCO with a small variation against 30,000 MWCO for the two surfactants, thereby no appreciable effect on both surfactant concentrations on concentration polarization was estimated. Thus, RB-5 dye alone was determined to be responsible for membrane plugging or concentration polarization and ultimately for low permeate flux. The effect of trans-membrane pressure was also investigated during this study. 相似文献
109.
Formation of supermolecular structures in petroleum disperse systems is determined by interactions of asphaltenes. Petroleum systems are lyophilic oleocolloids with low polar dispersive media which is in dynamic balance with elements of disperse structure. Supermolecular scale of organization is most important for determining the macroscopic parameters. Levshin-Perrin equation for depolarization of fluorescence was modified for polydispersed systems. Interfacial tension coefficient of model asphaltene solution was calculated in a case of Volmer's function. For technogenic mixtures the temperature dependences of the sizes near the point of phase transition are presented. Enthalpy of asphaltene association per one molecule was calculated. Polarization degree together with macroscopic parameters correlates with appearance of asphaltene dispersed phase in system. 相似文献
110.
Hyeonbae Kang Hyundae Lee Mikyoung Lim 《Mathematical Methods in the Applied Sciences》2015,38(9):1847-1854
We present a new systematic method to compute the Riemann mapping from the outside of the unit disc to the outside of a simply connected domain. We derive explicit relations between the coefficients of the Riemann mapping and the generalized polarization tensors associated with the domain. Because the generalized polarization tensors can be computed numerically, we are able to compute the coefficients of the Riemann mapping using these relations. Effectiveness of the method is validated by numerical examples. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献