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1.
The emission spectrum of TiCl has been investigated in the 3000-12 000 cm-1 region at high resolution using a Fourier transform spectrometer. The bands were excited in a microwave discharge through a flowing mixture of TiCl4 and helium. The observed bands have been classified into three electronic transitions, C4Delta-X4Phi, G4Phi-X4Phi, and G4Phi-C4Delta. In the 3000-3500 cm-1 region, four bands with R heads at 3368.7, 3331.8, 3291.9, and 3243.4 cm-1 have been assigned as the 0-0 bands of the 1/2-3/2, 3/2-5/2, 5/2-7/2, and 7/2-9/2 subbands, respectively, of the C4Delta-X4Phi transition. To higher wavenumbers, four transitions with 0-0 R heads at 10 930.7, 10 921.3, 10 906.5, and 10 886.9 cm-1 have been assigned as the 3/2-3/2, 5/2-5/2, 7/2-7/2, and 9/2-9/2 subbands, respectively, of the G4Phi-X4Phi system of TiCl. Four additional bands with 0-0 R heads at 7568.8, 7596.4, 7622.2, and 7651.7 cm-1 have been identified as the 1/2-3/2, 3/2-5/2, 5/2-7/2, and 7/2-9/2 subbands of the G4Phi-C4Delta transition, respectively. A rotational analysis of a number of vibrational bands of these transitions has been obtained and molecular constants have been extracted. The lowest 4Phi state has been assigned as the ground state of TiCl, by analogy with our recent work on TiF (R. S. Ram and P. F. Bernath, J. Mol. Spectrosc., in press). The correspondence between the electronic states of TiCl, TiF, TiH, and Ti+ is also discussed. Copyright 1997 Academic Press. Copyright 1997Academic Press 相似文献
2.
The A2Pi-X2Sigma+ Deltav = 0 sequence of BeD was observed in the 19 500-20 800 cm-1 spectral region using a Fourier transform spectrometer. The emission spectrum was excited in a Be hollow cathode discharge lamp with a He/D2 gas mixture. The observed lines were assigned to the 0-0 to 6-6 bands. The Deltav = -1 sequence was too weak to be seen in our Fourier transform spectra. We therefore used a previously recorded but unpublished arc emission spectrum to identify the 0-1 to 5-6 Deltav = -1 bands. Consequently, all of the diagonal bands could be linked together and the vibrational intervals determined. The Deltav = 0 and Deltav = -1 data were fitted together in a global fit and effective constants derived. Using the information available from the study of the C2Sigma+-X2Sigma+ system [R. Colin, C. Drèze, and M. Steinhauer, Can. J. Phys. 61, 641 (1983)], the v = 8-12 vibrational levels of the ground state were added in a Dunham fit. A set of Dunham Y constants was determined for the X2Sigma+ state along with traditional equilibrium parameters for the A2Pi excited state. The equilibrium bond lengths were found to be 1.341742(5) ? for the ground state and 1.33309(4) ? for the excited state. A reanalysis of the previously published A2Pi-X2Sigma+ 0-0 to 3-3 Deltav = 0 bands of BeT [D. De Greef and R. Colin, J. Mol. Spectrosc. 53, 455-465 (1974)] was also performed. Copyright 1998 Academic Press. 相似文献
3.
OL Polyansky NF Zobov S Viti J Tennyson PF Bernath L Wallace 《Canadian Metallurgical Quarterly》1997,186(2):422-447
Assignments are presented for spectra of hot water obtained in absorption in sunspots (T approximately 3000°C and 750 = nu; = 1010 cm-1) and in emission in the laboratory (T approximately 1550°C and 370 = nu; = 930 cm-1). These assignments are made using variational nuclear motion calculations based on a high-level ab initio electronic surface, with allowance for both adiabatic and nonadiabatic corrections to the Born-Oppenheimer approximation. Some 3000 of the 4700 transitions observed in the laboratory spectrum are assigned as well as 1687 transitions observed in the sunspot spectrum. All strong lines are now assigned in the sunspot measurements. These transitions involve mostly high-lying rotational levels within the (0,0,0), (0,1,0), (0,2,0), (1,0,0), and (0,0,1) vibrational states. Transitions within the (0,3,0), (0,4,0), (1,1,0), (0,1,1), (0,2,1), (1,1,1), (1,2,0), and (1,0,1) states are also assigned. For most bands the range of Ka values observed is significantly extended, usually doubled. New features observed include numerous cases where the closely degenerate levels JKaKc and JKaKc+1 with high Ka are split by Coriolis interactions. Comparisons are made with the recent line list of Partridge and Schwenke (1997, J. Chem. Phys. 106, 4618). Copyright 1997 Academic Press. Copyright 1997Academic Press 相似文献
4.
In remote sensing applications, spectra measured by Fourier-transform spectrometers are routinely apodized. A rigorous analysis approach would explicitly account for correlations induced in the covariance matrix by apodization, but these correlations are often ignored to simplify and speed up the processing. Using spectra measured by the Atmospheric Trace Molecule Spectroscopy missions, we investigated the effect of apodization on the retrieval of volume mixing ratio profiles for the case in which these correlations are ignored. Minor discrepancies occur between results for apodized and unapodized spectra, particularly when lines with a low signal-to-noise ratio are fitted. A set of microwindows is reported for O3 in the range of 1550-3350 cm(-1). 相似文献
5.
Early validation analyses of atmospheric profiles from EOS MLS on the aura Satellite 总被引:2,自引:0,他引:2
Froidevaux L. Livesey N.J. Read W.G. Jiang Y.B. Jimenez C. Filipiak M.J. Schwartz M.J. Santee M.L. Pumphrey H.C. Jiang J.H. Wu D.L. Manney G.L. Drouin B.J. Waters J.W. Fetzer E.J. Bernath P.F. Boone C.D. Walker K.A. Jucks K.W. Toon G.C. Margitan J.J. Sen B. Webster C.R. Christensen L.E. Elkins J.W. Atlas E. Lueb R.A. Hendershot R. 《Geoscience and Remote Sensing, IEEE Transactions on》2006,44(5):1106-1121
We present results of early validation studies using retrieved atmospheric profiles from the Earth Observing System Microwave Limb Sounder (MLS) instrument on the Aura satellite. "Global" results are presented for MLS measurements of atmospheric temperature, ozone, water vapor, hydrogen chloride, nitrous oxide, nitric acid, and carbon monoxide, with a focus on the January-March 2005 time period. These global comparisons are made using long-standing global satellites and meteorological datasets, as well as some measurements from more recently launched satellites. Comparisons of MLS data with measurements from the Ft. Sumner, NM, September 2004 balloon flights are also presented. Overall, good agreement is obtained, often within 5% to 10%, but we point out certain issues to resolve and some larger systematic differences; some artifacts in the first publicly released MLS (version 1.5) dataset are noted. We comment briefly on future plans for validation and software improvements. 相似文献
6.
A time-dependent heat transfer model based on the complete Fourier integral was developed for calculating cable temperatures during short-term transient conditions. A cyclic heat transfer calculation is used to obtain the initial temperature-time profile of the cable before the transient loading begins. The short-term transient model uses a lumped parameter formulation for the different cable regions and the Fourier integral to approximate the transient heat loss profile. Calculated conductor, jacket, and conduit temperatures show reasonable agreement with experimental results for a number of short-term transient tests with cables in a typical duct bank arrangement. 相似文献
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8.
The gene coding for the 3C protease from human rhinovirus strain 1B was efficiently expressed in an Escherichia coli strain which also overexpressed the rare argU tRNA. The protease was isolated from inclusion bodies, refolded, and exhibited a kcat/Km = 3280 M-1 s-1 using an internally quenched peptidyl fluorogenic substrate. This continuous fluorogenic assay was used to measure the kinetics of 3C protease inhibition by several conventional peptidyl chloromethylketones as well as a novel series of compounds, the bromomethylketonehydrazides. Compounds containing the bromomethylketonehydrazide backbone and a glutamine-like side chain at the P1 position were potent, time-dependent inhibitors of rhinovirus 3C protease with kinact/Kinact values as high as 23,400 M-1 s-1. The inhibitory activity of compounds containing modified P1 side chains suggests that the interactions between the P1 carboxamide group and the 3C protease contributes at least 30-fold to the kinact/Kinact rate constants for bromomethylketonehydrazide inhibition of 3C protease. Electrospray ionization mass spectrometry measurements of the molecular weights of native and inhibited 3C protease have established an inhibitory mechanism involving formation of a covalent adduct between the enzyme and the inhibitor with the loss of a bromide ion from the bromomethylketonehydrazide. Tryptic digestion of bromomethylketonehydrazide-inhibited 3C protease established adduct formation to a peptide corresponding to residues 145-154, a region which contains the active site cysteine-148 residue. The bromomethylketonehydrazides were fairly weak inhibitors of chymotrypsin, human elastase, and cathepsin B and several of these compounds also showed evidence for inhibition of human rhinovirus 1B replication in cell culture. 相似文献
9.
McElroy CT Nowlan CR Drummond JR Bernath PF Barton DV Dufour DG Midwinter C Hall RB Ogyu A Ullberg A Wardle DI Kar J Zou J Nichitiu F Boone CD Walker KA Rowlands N 《Applied optics》2007,46(20):4341-4356
The Measurement of Aerosol Extinction in the Stratosphere and Troposphere Retrieved by Occultation (MAESTRO) instrument on the SCISAT satellite is a simple, compact spectrophotometer for the measurement of atmospheric extinction, ozone, nitrogen dioxide, and other trace gases in the stratosphere and upper troposphere as part of the Atmospheric Chemistry Experiment (ACE) mission. We provide an overview of the instrument from requirements to realization, including optical design, prelaunch and on-orbit performance, and a preliminary examination of retrievals of ozone and NO(2). 相似文献
10.
MJ O'Connell DM Nagorney AM Bernath G Schroeder RJ Fitzgibbons JA Mailliard P Burch JS Bolton G Colon-Otero JE Krook 《Canadian Metallurgical Quarterly》1998,16(7):2528-2533
PURPOSE: Extrahepatic metastasis represents a frequent pattern of disease progression when fluorodeoxyuridine (FUDR) is given by the intraarterial route for the treatment of unresectable colorectal liver metastases. Systemic fluorouracil (5-FU) plus leucovorin was added to intrahepatic FUDR to prolong the duration of disease control. METHODS: Only patients with colorectal cancer who had evidence of unresectable metastases confined to the liver were eligible. Laparotomy was performed to establish arterial perfusion of the liver. Cycles of intrahepatic FUDR followed by a 1-week rest period then intravenous chemotherapy with 5-FU plus leucovorin were administered until maximal regression of hepatic metastases. Maintenance chemotherapy with 5-FU plus leucovorin was then given until disease progression. RESULTS: Fifty-seven patients entered this trial; four patients (7%) were ineligible and 13 (23%) did not receive any chemotherapy on study because of findings at laparotomy. The 40 eligible patients who began chemotherapy are included in the statistical analyses. Twenty-five patients (62% of those who received chemotherapy) experienced regression of liver metastases. The median time to tumor progression was 9 months, but only 3% remained progression-free at 24 months. The median survival duration was 18 months. Toxicity was tolerable with no cases of biliary sclerosis. One treatment-related fatality due to sepsis was observed. CONCLUSION: Although short-term treatment results appear to be somewhat better than we have previously observed with intrahepatic FUDR alone, the sequential regimen did not have an impact on long-term, progression-free survival in patients with unresectable liver metastases. We are now investigating this regimen as surgical adjuvant therapy in selected patients following hepatic metastasectomy where this aggressive approach might have a greater therapeutic effect in the minimal residual disease setting. 相似文献