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81.
A prototype flow injection analysis (FIA) system for the characterisation of compounds via a combination of diode array UV, 1H NMR, FT-IR spectroscopy and time-of-flight (TOF) mass spectrometry has been investigated using a number of pharmaceuticals and related compounds as model compounds. This combination of spectrometers allowed the on-flow collection of UV, 1H NMR, IR and mass spectra together with atomic composition data, enabling almost complete structural characterisation to be performed. Practical detection limits with the current system were in the region of 50 micrograms, however, the use of state of the art spectrometers would result in a significant reduction in the amount of material required. 相似文献
82.
The conventional type of magnetic well is formed by superposition of two types of magnetic field, axial bumpy field and radial
multipole field. It is used to contain plasma that consists of neutrals, ions and electrons. These particles are in constant
motion in the well and energetic electrons create plasma by violent collisions with neutrals and ions. The confined electrons
are constantly heated by ECR technique in the presence of magnetic field. In this paper it has been shown theoretically that
how the electron motion is influenced in terms of heating, containment and azimuthal uniformity of plasma, by the axial rotation
of the multipole magnetic field [1,2]. Afterwards, the feasibility of achieving a rotating magnetic multipole field is discussed
to some extent. And it is seen that it is not beyond the capability of the scientific community in the present scenario of
the advanced technology. Presently, it can be achieved for lesser field and slightly larger size of the multipole electromagnet
and can be used for improvement of the ECR ion source (ECRIS). 相似文献
83.
M. Chambers R. Clemitson D. Coates S. Greenfield J. A. Jenner I. C. Sage 《Liquid crystals》1989,5(1):153-158
Twenty-six fluoro-substituted 4-n-alkoxyphenyl 4'-n-alkyi-and 4'-n-alkoxybiphenyl-4-carboxylates are reported. The number and position of the fluoro groups influences the liquid crystal phase sequence and has a dramatic effect on the liquid crystal transition temperatures. Some compounds have low melting points and a very wide smectic C phase, whereas other compounds exhibit a very wide smectic A phase. Compounds containing a 2,3-difluorophenyl group provide useful materials which have a large negative dielectric anisotropy. 相似文献
84.
We predict the two-photon absorption spectrum for bond modes which are coupled to a quasicontinuum of vibrational states. 相似文献
85.
Corcoran O Nicholson JK Lenz EM Abou-Shakra F Castro-Perez J Sage AB Wilson ID 《Rapid communications in mass spectrometry : RCM》2000,14(24):2377-2384
We report the application of high-performance liquid chromatography (HPLC) linked to inductively coupled plasma mass spectrometry (ICPMS) and orthogonal acceleration time-of-flight mass spectrometry (oa-TOFMS) for the identification of phase I and II urinary metabolites of diclofenac. The metabolites were separated by reversed-phase HPLC monitored with a UV diode array detector (UV-DAD) after which 90% of the eluent was directed to an ICPMS source, with the remainder going to an oa-TOF mass spectrometer. Compounds containing (35)Cl, (37)Cl and (32)S were detected specifically using ICPMS and identified by oa-TOFMS. The metabolites detected and identified in this way included glucuronic acid and sulfate conjugates, mono- and dihydroxylated and free diclofenac. In addition a previously unreported in vivo metabolite, an N-acetylcysteinyl conjugate of diclofenac, was also characterised. This is the first application of the combination of HPLC/UV-DAD/ICPMS/oa-TOFMS for the investigation of the metabolic fate of chlorinated xenobiotics by direct biofluid analysis. 相似文献
86.
Zeng W Silvernail NJ Wharton DC Georgiev GY Leu BM Scheidt WR Zhao J Sturhahn W Alp EE Sage JT 《Journal of the American Chemical Society》2005,127(32):11200-11201
We use nuclear resonance vibrational spectroscopy (NRVS) to identify the Fe-NO stretching frequency in the NO adduct of myoglobin (MbNO) and in the related six-coordinate porphyrin Fe(TPP)(1-MeIm)(NO). Frequency shifts observed in MbNO Raman spectra upon isotopic substitution of Fe or the nitrosyl nitrogen confirm and extend the NRVS results. In contrast with previous assignments, the Fe-NO frequency of these six-coordinate complexes lies 70-100 cm-1 lower than in the analogous five-coordinate nitrosyl complexes, indicating a significant weakening of the Fe-NO bond in the presence of a trans imidazole ligand. This result supports proposed mechanisms for NO activation of heme proteins and underscores the value of NRVS as a direct probe of metal reactivity in complex biomolecules. 相似文献
87.
Neopentane and TMS are used as model M(CH(3))(4) systems to investigate intramolecular interactions. The nonbonded site-site potential between two proximal hydrogen atoms on different methyl groups, V(nb)(d(HH)), is not Lennard-Jones- or Morse-like but is found to be pseudolinear in hydrogen-hydrogen internuclear separation, d(HH), for both neopentane and TMS. The Morse potential is found to be a poor basis in which to expand V(nb)(d(HH)). The nonbonded site-site potential is conformation-dependent and not transferable between molecules. The individual contributions to V(nb)(d(HH)) are presented. The local mode parameters for neopentane and TMS are calculated ab initio for a variety of molecular conformations. The ab initio values of the local mode frequency and local mode anharmonicity are increasingly blue-shifted with increasing steric hindrance. Electron correlation is found to be increasingly important with decreasing internuclear separations, d(HH). 相似文献
88.
89.
90.
Gabrielse G Larochelle P Le Sage D Levitt B Kolthammer WS Kuljanishvili I McConnell R Wrubel J Esser FM Glückler H Grzonka D Hansen G Martin S Oelert W Schillings J Schmitt M Sefzick T Soltner H Zhang Z Comeau D George MC Hessels EA Storry CH Weel M Speck A Nillius F Walz J Hänsch TW 《Physical review letters》2007,98(11):113002
Antiprotons (p[over]) remain confined in a Penning trap, in sufficient numbers to form antihydrogen (H[over ) atoms via charge exchange, when the radial field of a quadrupole Ioffe trap is added. This first demonstration with p[over] suggests that quadrupole Ioffe traps can be superimposed upon p[over] and e(+) traps to attempt the capture of H[over] atoms as they form, contrary to conclusions of previous analyses. 相似文献