排序方式: 共有47条查询结果,搜索用时 15 毫秒
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Leibold C Alvarez RM Cutin EH Della Vedova CO Oberhammer H 《Inorganic chemistry》2003,42(13):4071-4075
The IR (gas) and Raman (liquid) spectra of FC(O)NSCl(2) demonstrate the presence of a conformational mixture in both phases. According to a gas electron diffraction study, the main conformer (94(8)%) possesses a syn-syn structure (C(O)F group synperiplanar with respect to the SCl(2) bisector and the C=O bond synperiplanar to the N=S bond). Quantum chemical calculations (HF, B3LYP and MP2 with 6-31G basis set, and MP2/6-311(2df)) predict a syn-anti structure for the second conformer. Analysis of the IR (gas) spectrum results in a contribution of 5(1)% of the minor form, corresponding to a Gibbs free energy difference DeltaG degrees = G degrees (syn-anti) - G degrees (syn-syn) = 1.75(15) kcal/mol. This value is reproduced very well by quantum chemical calculations, which include electron correlation effects (DeltaG degrees = 1.28-1.56 kcal/mol). The HF approximation overestimates this energy difference (DeltaG degrees = 3.24 kcal/mol). 相似文献
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Riccardo Flamini Mirko De Rosso Annarita Panighel Antonio Dalla Vedova Fabiola De Marchi Luigi Bavaresco 《Journal of mass spectrometry : JMS》2014,49(12):1214-1222
A ‘suspect screening analysis’ method for grape metabolomics by ultra‐high performance‐liquid chromatography (UHPLC) and high‐resolution quadrupole‐time of flight (QTOF) mass spectrometry was recently developed. This method was applied to study grape monoterpene glycosides, the main grape aroma precursors. Since standard compounds were not available, they were tentatively identified by overlapping various analytical approaches, in agreement with the indications recommended in mass spectrometry (MS)‐based metabolomics. Accurate mass and isotopic pattern, MS/MS fragmentation, correlation between fragments observed and putative structures and between liquid chromatography coupled with mass spectrometry (LC/MS) and gas chromatography/mass spectrometry signals were studied. Seventeen monoterpene glycosides were identified without performing the hydrolytic artifacts commonly used to study these compounds which may affect sample profile. This is the first time that a detailed study of these aroma precursors has been carried out by direct LC/MS analysis. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
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P. Mason N. Marginean G. Montagnoli S. Beghini F. Scarlassara E. Farnea C. A. Ur A. Meroni A. M. Stefanini L. Corradi E. Fioretto I. V. Pokrovskiy B. Guiot A. Gadea J. J. Valiente-Dobón F. Della Vedova R. Orlandi E. Sahin D. R. Napoli L. Berti N. Toniolo S. Szilner M. Trotta M. Romoli M. La Commara D. Pierroutsakou M. Sandoli G. Pollarolo G. Benzoni 《The European physical journal. Special topics》2007,150(1):359-361
PRISMA is a magnetic
spectrometer installed at Laboratori Nazionali di Legnaro (Italy)
and designed for A=100–200, E=5–10 MeV-per-nucleon beams, and for
possible use with the proposed radioactive beam facility SPES. The
foremost features of the instrument are presented, along with the
outline of two data analyses exemplifying the effectiveness of
PRISMA-CLARA in studies of reaction
dynamics. 相似文献
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Gareth AD Hardy Nesrina Imami Mark R Nelson Ann K Sullivan Ron Moss Marlén MI Aasa-Chapman Brian Gazzard Frances M Gotch 《Journal of immune based therapies and vaccines》2007,5(1):6-12
Background
Fully functional HIV-1-specific CD8 and CD4 effector T-cell responses are vital to the containment of viral activity and disease progression. These responses are lacking in HIV-1-infected patients with progressive disease. We attempted to augment fully functional HIV-1-specific CD8 and CD4 effector T-cell responses in patients with advanced chronic HIV-1 infection. 相似文献6.
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We consider the problem of existence of constant scalar curvature Kähler metrics on complete intersections of sections of vector bundles. In particular we give general formulas relating the Futaki invariant of such a manifold to the weight of sections defining it and to the Futaki invariant of the ambient manifold. As applications we give a new Mukai–Umemura–Tian like example of Fano 5-fold admitting no Kähler–Einstein metric, and a strong evidence of K-stability of complete intersections in Grassmannians. 相似文献
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Putative identification of new p‐coumaroyl glycoside flavonoids in grape by ultra‐high performance liquid chromatography/high‐resolution mass spectrometry 下载免费PDF全文
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Pesavento IC Bertazzo A Flamini R Vedova AD De Rosso M Seraglia R Traldi P 《Journal of mass spectrometry : JMS》2008,43(2):234-241
Until now the study of pathogenic related proteins in grape juice and wine, performed by ESI-MS, LC/ESI-MS, and MALDI/MS, has been proposed for differentiation of varieties. In fact, chitinases and thaumatin-like proteins persist through the vinification process and cause hazes and sediments in bottled wines. An additional instrument, potentially suitable for the grape varieties differentiation, has been developed by MALDI/MS for the grape seed protein analysis. The hydrosoluble protein profiles of seeds extract from three different Vitis vinifera grape (red and white) varieties were analyzed and compared. In order to evaluate the environmental conditions and harvest effects, the seed protein profiles of one grape variety from different locations and harvests were studied. 相似文献
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