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1.
Summers MA Kemper PR Bushnell JE Robinson MR Bazan GC Bowers MT Buratto SK 《Journal of the American Chemical Society》2003,125(17):5199-5203
In this article, we describe, for the first time, direct comparisons of the detailed structures of two small molecule organic semiconductors, oligo(phenylenvinylene) (OPV) molecules with chains of five and six phenyl rings (5R-OC(8)H(17) and 6R-OC(8)H(17)), respectively, and their luminescence properties on a single molecule level. Our data originate from a combination of two powerful diagnostic tools in physical chemistry: ion mobility and single molecule fluorescence spectroscopy. These techniques enable us to precisely determine the shapes of isolated molecules in the gas phase and to correlate these structures to the emission from single molecules supported on bare glass substrates. The principal structural uncertainty in OPVs is the (possible) presence and location of cis-vinylene linkages (cis-defects) in the oligomer. The results show that the structures observed in the gas phase are strongly correlated to the categories of molecules observed in the single molecule polarization anisotropy measurements with nearly identical distributions for the two OPV molecules studied. Each category is also characterized by the luminescence efficiency of the molecules in each class, providing a direct correlation between the luminescence efficiency and the shape of the molecule. This combination of techniques provides a level of information far beyond that obtained via any other analytical technique. 相似文献
2.
Lorraine P. McDonnell Bushnell Eric R. Evitt Robert G. Bergman 《Journal of organometallic chemistry》1978,157(4):445-456
Reactions of η5-cyclopentadienylbis(triphenylphosphine)cobalt(I) (5) with several 2,n-alkadiynes (2) were investigated. Each of these reactions leads initially to a material in which one of the acetylene functional groups is π-coordinated to cobalt; this complex then undergoes conversion to a metallocycle. In cases where the two acetylene functions are connected by three- and four-carbon bridges (2b, 2c), metallocycles formed by intramolecular reaction of two acetylene functions in the same molecule may be isolated. In cases where the acetylene functions are joined by larger or smaller bridges, the reactions are more complex, and both inter- and intramolecular metallocycles are formed. Reactions of 5 with 1,8-bis(trimethylsilyl)-1,7-octadiyne (16) gives an isolable crystalline mono-acetylene complex (17), this material is stable in the solid state but undergoes conversion to metallocycle (18) in benzene solution. The relationship of these results to the mechanism of the CpCo(CO)2-catalyzed benzocycloalkene synthesis is discussed; it is suggested that intramolecular metallocycles are intermediates in reactions leading to benzocyclopentanes and -cyclohexenes, but intermolecular metallocycles are probably involved in reactions leading to benzocyclobutenes. 相似文献
3.
The performance of a range density functional theory functionals combined in a quantum mechanical (QM)/molecular mechanical (MM) approach was investigated in their ability to reliably provide geometries, electronic distributions, and relative energies of a multicentered open‐shell mechanistic intermediate in the mechanism 8R–Lipoxygenase. With the use of large QM/MM active site chemical models, the smallest average differences in geometries between the catalytically relevant quartet and sextet complexes were obtained with the B3LYP* functional. Moreover, in the case of the relative energies between 4II and 6II , the use of the B3LYP* functional provided a difference of 0.0 kcal mol–1. However, B3LYP± and B3LYP also predicted differences in energies of less than 1 kcal mol–1. In the case of describing the electronic distribution (i.e., spin density), the B3LYP*, B3LYP, or M06‐L functionals appeared to be the most suitable. Overall, the results obtained suggest that for systems with multiple centers having unpaired electrons, the B3LYP* appears most well rounded to provide reliable geometries, electronic structures, and relative energies. © 2012 Wiley Periodicals, Inc. 相似文献
4.
Ryan E Campbell-Anson Diane Kentor Yi J Wang Kathryn M Bushnell Yufeng Li Luis M Vence Laszlo G Radvanyi 《Journal of immune based therapies and vaccines》2008,6(1):1
Background
Human monocyte-derived DC (mDC) loaded with peptides, protein, tumor cell lysates, or tumor cell RNA, are being tested as vaccines against multiple human malignancies and viral infection with great promise. One of the factors that has limited more widespread use of these vaccines is the need to generate mDC in large scale. Current methods for the large-scale cultivation of mDC in static culture vessels are labor- and time- intensive, and also require many culture vessels. Here, we describe a new method for the large-scale generation of human mDC from human PBMC from leukopheresis or buffy coat products using roller bottles, never attempted before for mDC generation. We have tested this technology using 850 cm2 roller bottles compared to conventional T-175 flat-bottom static culture flasks. 相似文献5.
6.
Authors Index
Contents to Volume 123 (2000) 相似文献7.
Let F be a non-Archimedean local field of residual characteristic two and let d be an odd positive integer. Let D be a central F-division algebra of dimension d
2. Let π be one of: an irreducible smooth representation of D
× , an irreducible cuspidal representation of GL
d
(F), an irreducible smooth representation of the Weil group of F of dimension d. We show that, in all these cases, if π is self-contragredient then it is defined over
\mathbb Q{\mathbb Q} and is orthogonal. We also show that such representations exist. 相似文献
8.
Let be a non-Archimedean local field (of characteristic or ) with finite residue field of characteristic . An irreducible smooth representation of the Weil group of is called essentially tame if its restriction to wild inertia is a sum of characters. The set of isomorphism classes of irreducible, essentially tame representations of dimension is denoted . The Langlands correspondence induces a bijection of with a certain set of irreducible supercuspidal representations of . We consider the set of isomorphism classes of certain pairs , called ``admissible', consisting of a tamely ramified field extension of degree and a quasicharacter of . There is an obvious bijection of with . Using the classification of supercuspidal representations and tame lifting, we construct directly a canonical bijection of with , generalizing and simplifying a construction of Howe (1977). Together, these maps give a canonical bijection of with . We show that one obtains the Langlands correspondence by composing the map with a permutation of of the form , where is a tamely ramified character of depending on . This answers a question of Moy (1986). We calculate the character in the case where is totally ramified of odd degree.
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10.
Test results are reported for a recently completed experimental research program on rocks subjected to triaxial compression. Sandstone, marble, granite and shale specimens were tested at confining pressures as high as 90,000 psi corresponding to mean stresses of up to 143,000 psi. Recognizing that the largest potential experimental error in such tests results from making strain and load measurements external to the vessel, special load and strain-measuring devices were designed and fabricated for use inside the pressure vessel. The specimens were carefully machined cylinders with length-to-diameter ratios of two and with diameters ranging from 4/16 in. to 1 in. The confining pressure was held constant during each run, but varied from 0 to 90,000 psi over the tests. Results are reported in the form of:
- Stress-strain curves for individual specimens
- Maximum shear stress at fracture vs. mean-stress curves for each rock type tested
- Tabulation of results for 59 specimens