排序方式: 共有23条查询结果,搜索用时 15 毫秒
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Ko YJ Shakya A Wang H Grubisic A Zheng W Götz M Ganteför G Bowen KH Jena P Kiran B 《The Journal of chemical physics》2010,133(12):124308
The equilibrium structure, stability, and electronic properties of the Al(13)X (X=H,Au,Li,Na,K,Rb,Cs) clusters have been studied using a combination of photoelectron spectroscopy experiment and density functional theory. All these clusters constitute 40 electron systems with 39 electrons contributed by the 13 Al atoms and 1 electron contributed by each of the X (X=H,Au,Li,Na,K,Rb,Cs) atom. A systematic study allows us to investigate whether all electrons contributed by the X atoms are alike and whether the structure, stability, and properties of all the magic clusters are similar. Furthermore, quantitative agreement between the calculated and the measured electron affinities and vertical detachment energies enable us to identify the ground state geometries of these clusters both in neutral and anionic configurations. 相似文献
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Anisha Gokarna Yong Hwan Kim Yong-Hoon Cho Min Su Lee In Cheol Kang Hyun Kyu Park Min Gon Kim Bong Hyun Chung 《Optical Review》2006,13(4):288-291
We demonstrate the fluorescence mapping of protein microarrays by the technique of scanning near-field optical microscopy
(SNOM) and confocal microscopy. Micron sized spots (300 μm) of human Immunoglobulin G (hIgG) protein with and without a Cy3
dye labeling have been fabricated on glass substrates by an immobilization method which makes use of calixcrown derivatives
termed Prolinker. We have also tried to probe into the well-known “doughnut effect” observed in fluorescence images of proteins
using the SNOM technique. The topographic and fluorescence SNOM images revealed that the number of proteins at the boundary
of the spot were more than at the center in the case of the microarray spot which showed brighter luminescence at the edge
than at the center in the confocal image. 相似文献
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The singlet oxygen (1Δg) photooxidations of angelic acid salt (1), tiglic acid salt (2), 2,3-dimethyl-2-butenoic acid salt (3), 3-ethoxycarbonyl-5,6-dihydro-2-methyl-4H-pyrane acid salt (4), cis-3-hexenoic acid salt (5), and trans-3-hexenoic acid salt (6) were conducted in deuterated water. The major and minor ene allylic hydroperoxide products were quantified and indicate that the allylic hydrogen geminal to the carboxylate group is preferentially abstracted in 1-4, whereas the allylic hydrogen α to the carboxylate is slightly favored for 5 and 6. We have attributed the observed regiochemistry in 1-4 to stabilizing hydrogen bonding interactions between the solvent and the perepoxide, which leads to the major ene product. 相似文献
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Igor A. Sedov Timur I. Magsumov Erin Hart Ashley M. Ramirez Sarah Cheeran Maribel Barrera Melissa Y. Horton Anisha Wadawadigi Olivia Zha Xin Y. Tong William E. AcreeJr. Michael H. Abraham 《Journal of solution chemistry》2017,46(12):2249-2267
A gas chromatographic headspace analysis method was used to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity coefficients for 29 liquid organic solutes dissolved in triethylene glycol at 298.15 K. Solubilities were also determined at 298.15 K for 23 crystalline nonelectrolyte organic compounds in triethylene glycol based on spectroscopic absorbance measurements. The experimental results of the headspace chromatographic and spectroscopic solubility measurements were converted to gas-to-triethylene glycol and water-to-triethylene glycol partition coefficients, and molar solubility ratios using standard thermodynamic relationships. Expressions were derived for solute transfer into triethylene glycol by combining our measured experimental values with published literature data. Mathematical correlations based on the Abraham model describe the observed partition coefficient and solubility data to within 0.16 log10 units (or less). 相似文献
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Third-harmonic generation microscopy has been used to analyze the morphology of photonic structures created using the femtosecond laser direct-write technique. Three-dimensional waveguide arrays and waveguide-Bragg gratings written in fused-silica and doped phosphate glass were investigated. A sensorless adaptive-optical system was used to correct the optical aberrations occurring in the sample and microscope system, which had a lateral resolution of less than 500?nm. This nondestructive testing method creates volume reconstructions of photonic devices and reveals details invisible to other linear microscopy and index profilometry techniques. 相似文献
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A range of polyvinylpyrrolidone–polycaprolactone diblock copolymers with varying chain lengths were synthesized by Atom Transfer Radical Polymerisation (ATRP) using bromo-polycaprolactone as macroinitiator and copper(I) bromide/bipyridine catalytic system. The copolymers self-assembled in solution into core–shell micelles with sizes varying from 150 to 205 nm and critical micelle concentration of the order of 10−5 to 10−6 M. Front line anti-Tuberculosis drugs Rifampicin (RIF), Pyrazinamide (PZA) and Isoniazid (INH) were successfully encapsulated within the micelle hydrophobic core singly or in dual combination. The effect of length of hydrophobic and hydrophilic segments on drug loading, micelle size and drug release was investigated. Determination of binding constants showed that RIF binds more strongly to the micelle core than PZA and INH, leading to highest drug loading content. All drugs were released in vitro (PBS solution at 37 °C) in a sustained manner with zero-order kinetics and followed the order INH > PZA > RIF. 相似文献
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Gong SH Stolz A Myeong GH Dogheche E Gokarna A Ryu SW Decoster D Cho YH 《Optics letters》2011,36(21):4272-4274
Anodic aluminum oxide (AAO) films with different pore sizes were prepared to modulate the effective refractive index and birefringence. To investigate the relationship between the refractive index and the pore size of the AAO film, optical constants were obtained using a prism coupler with various lasers. With experimental results, the dispersion curve of alumina itself without pores was extracted using a theoretical anisotropic model. We demonstrated that AAO films could offer a wide range of refractive index and birefringence values for optical device applications. Furthermore, index profiles as a function of the thickness of the AAO films were obtained by inverse Wentzel-Kramer-Brillouin approximation to examine the optical homogeneity. 相似文献
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Recurrent event data with multiple causes are often observed in biomedical studies. The additive hazards model describes a different aspect of the association between covariates and the failure time than does the proportional hazards model. In this paper, we introduce additive hazards models for the analysis of gap time data of recurrent events with multiple causes. We estimate the regression parameter vector and cumulative baseline cause specific hazard rate function using counting process approach. Asymptotic properties of the estimators are studied. The proposed model is applied to the kidney dialysis data given in Lawless (2003). A simulation study is carried out to assess the performance of the estimates. 相似文献