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91.
    
A set of 98 nanoporous framework material (NFM) structures was investigated by classical Grand canonical Monte Carlo simulations for low-pressure O2 adsorption properties (Henry’s constant and isosteric heat of adsorption). The set of materials includes those that have shown high O2 uptake experimentally as well as a subset of more than 2000 structures previously screened for noble-gas uptake. While use of the general force field UFF is fruitful for noble-gas adsorption studies, its use is shown to be limited for the case of O2 adsorption—one distinct limitation is a lack of sufficient O2–metal interactions to be able to describe O2 interaction with open metal sites. Nonetheless, those structures without open metal sites that have very small pores (<2.5 Å) show increased O2/N2 selectivity. Additionally, O2/N2 mixture simulations show that in some cases, H2O or N2 can hinder O2 uptake for NFMs with small pores due to competitive adsorption.  相似文献   
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93.
The relative cross section for the gas phase photodetachment of electrons has been determined for nitrite ions in the wavelength region 280–740 nm (4.43-1.68 eV). The vertical detachment energy for ONO? has been determined to be ≈ 2.8 eV. Evidence is presented for a new isomer of NO?2.  相似文献   
94.
    
With incorporation of gold nanoparticles, i.e., nanorods (AuNR) and nanospheres (AuNS), into a polyurethane‐based shape‐memory polymer (SMP) EG‐72D matrix, SMP nanocomposite films capable of being remotely triggered by low‐power laser are fabricated and characterized using UV‐vis‐NIR spectroscopy, X‐ray scattering, and dynamic mechanical analysis (DMA). It is demonstrated that, with incorporation of very low concentration of gold nanorods (≈0.1 wt%), the mechanically programmed EG‐72D/AuNR nanocomposite presents rapid response to low power laser irradiation (785 nm, ≈10 mW). Comparative studies on the laser irradiation response of EG‐72D/AuNS and EG‐72D/AuNR nanocomposite films suggest that AuNRs have significantly higher photothermal conversion efficiency than AuNS and on‐resonance laser irradiation, matching the wavelength of the incident laser with the longitudinal plasmon resonance of AuNR, is necessary to induce the fast response of gold nanoparticle enabled SMP nanocomposites.  相似文献   
95.
    
Homoepitaxial growth of GaN by metal organic vapor phase epitaxy (MOVPE) was systematically evaluated using nominal c‐plane and various vicinal GaN(0001) wafers: 1°, 2°, 4°, and 8° offcut in the directions of 〈10 0〉 and 〈11 0〉. It was found that a hillock morphology formed on the nominal c‐plane substrate whereas smooth epi films were formed on vicinal substrates. Silicon‐doped films showed similarly improved surface morphology with offcut angle, however Mg‐doped films exhibited a rougher microstructure. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)  相似文献   
96.
    
In this study, biodegradable mesoporous Si (BioSiliconTM) was loaded with cis‐(2,2′‐bipyridine) dichlororuthenium (II) (Ru complex) as a model hydrophobic compound. This ruthenium complex‐loaded BioSiliconTM was either partially embedded on the surface of electrospun polycaprolactone (PCL) fibers or fully encapsulated within the fibers. To study release profiles in the above model delivery systems, porous Si/PCL constructs were soaked in DI water at 37 °C and the UV–Vis absorption spectrum of the supernatant was measured as a function of time. These results show that the Ru complex was released in a sustained manner over 7‐day period. In addition, it is shown that the controlled‐release of this complex depends on both the spatial location of the complex in the PCL fibrous scaffolds as well as the amount of Ru compound loaded in the mesoporous Si. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)  相似文献   
97.
The antifungal natural product citrafungin A was synthesized using, as key steps, an asymmetric aldol reaction of a chiral oxazolidinone, diastereoselective alkylation of a chiral 1,3-dioxolan-2-one, semihydrogenation of an enyne, and selective methyl ester deprotection.  相似文献   
98.
The reaction of a potentially tetradentate bis(pyridyl-thiazole) ligand with acetone is allosterically activated upon complexation with Cd(II) but deactivated by reaction with Cu(I), demonstrating metal-specific allosteric controlled reactivity.  相似文献   
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[reaction: see text] The solid-phase assembly of heterocyclic amino acids enabled the total synthesis of numerous diastereoisomers of tenuecyclamides A-D, establishing or correcting the stereochemistry of each natural product. This strategy provides a very efficient route to synthesize thiazole- and oxazole-containing macrolactams from heterocyclic amino acids that are readily prepared from Fmoc-alpha-amino acids. This methodology appears to be broadly applicable to the synthesis of natural product libraries incorporating unnatural heterocyclic amino acid residues for the purpose of drug discovery.  相似文献   
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