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31.
Alan Noell 《Journal of Geometric Analysis》2008,18(4):1058-1087
This paper surveys results concerning peak points for pseudoconvex domains. It includes results of Laszlo that have not been
published elsewhere.
相似文献
32.
Summary The method of iterative target transformation factor analysis (ITTFA) used in conjunction with second derivative peak finding
has shown to be a practical method for the peak deconvolution and reconstruction of HPLC chromatograms and spectra. The second
derivative method of peak finding is acceptable for resolutions above 0.5 for peaks of similar heights. Above 0.5 resolution
the labelling gives correct results where the spectra are substantially different and also when reasonably similar. Below
this value the peak labelling was still accurate where the spectra were different. Solvent effects on the spectra of the compounds
studied are small and do not hinder the peak labelling process. Thus small “local” libraries are feasible.
Presented at the 17th International Symposium on Chromatography, September 25–30, 1988. Vienna, Austria. 相似文献
33.
Trusch M Ehlert S Bertsch A Kohlbacher O Hildebrand D Schlüter H Tallarek U 《Journal of separation science》2010,33(21):3283-3291
The influence of packing process parameters (packing pressure, application of ultrasound) and the stationary phase particle size (3.5 and 5 μm) on the chromatographic performance of HPLC/MS chips was systematically investigated for proteomic samples. First, reproducibility and detection limits of the separation were evaluated with a low‐complexity sample of tryptic BSA peptides. The influence of adsorbent packing quality on protein identification was then tested with a typical proteomics sample of high complexity, a human plasma protein fraction (Cohn fraction IV‐4). All HPLC/MS chips provided highly reproducible separations of these proteomic samples, but improved packing conditions and smaller particle sizes resulted in chromatograms with narrower peaks and correspondingly higher signal intensities. Improved separation performance increased the peak capacity, the number of identified peptides, and thus the sequence coverage in the proteomic samples, particularly for low sample amounts. 相似文献
34.
The watershed algorithm is the most common method used for peak detection and integration in two-dimensional chromatography. However, the retention time variability in the second dimension may render the algorithm to fail. A study calculating the probabilities of failure of the watershed algorithm was performed. The main objective was to calculate the maximum second-dimension retention time variability, Δ2tR,crit, above which the algorithm fails. Several models to calculate Δ2tR,crit were developed and evaluated: (a) exact model; (b) simplified model and (c) simple-modified model. Model (c) gave the best performance and allowed to deduce an analytical expression for the probability of failure of the watershed algorithm as a function of experimental Δ2tR, modulation time and peak width in the first and second dimensions. It could be demonstrated that the probability of failure of the watershed algorithm under normal conditions in GC × GC is around 15–20%. Small changes of Δ2tR, modulation time and/or peak width in the first and second dimension could induce subtle changes in the probability of failure of the watershed algorithm. Theoretical equations were verified with experimental results from a diesel sample injected in GC × GC and were found to be in good agreement with the experiments. 相似文献
35.
In chromatography-based metabonomic research, retention time (RT) alignment of chromatographic peaks poses a challenge for the accurate profiling of biomarkers. Although a number of RT alignment software has been reported, the performance of these software packages have not been comprehensively evaluated. This study aimed to evaluate the RT alignment accuracy of publicly available and commercial RT alignment software. Two gas chromatography/mass spectrometry (GC/MS) datasets acquired from a mixture of standard metabolites and human bladder cancer urine samples, were used to assess three publicly available software packages, MetAlign, MZmine and TagFinder, and two commercial applications comprising the Calibration feature and Statistical Compare of ChromaTOF software. The overall RT alignment accuracies in aligning standard compounds mixture were 93, 92, 74, 73 and 42% for Calibration feature, MZmine, MetAlign, Statistical Compare and TagFinder, respectively. Additionally, unique trends were observed for the individual software with regards to the different experimental conditions related to extent and direction of RT shifts. Conflicting performance was observed for human urine samples suggesting that RT misalignments still occurred despite the use of RT alignment software. While RT alignment remains an inevitable step in data preprocessing, metabonomic researchers are recommended to perform manual check on the RT alignment of important biomarkers as part of their validation process. 相似文献
36.
Dennis F. Thekkudan Sarah C. Rutan Peter W. Carr 《Journal of chromatography. A》2010,1217(26):4313-4327
Simulated chromatographic data were used to determine the precision and accuracy in the estimation of peak volumes (i.e., peak sizes) in comprehensive two-dimensional liquid chromatography in time (LC × LC). Peak volumes were determined both by summing the areas in the second dimension chromatograms and by fitting the second dimension areas to a Gaussian peak. The Gaussian method is better at predicting the peak volume than the moments method provided there are at least three second dimension injections above the limit of detection (LOD). However, when only two of the second dimension signals are substantially above baseline, the accuracy and precision of the Gaussian fit method become quite poor because the results from the fitting algorithm become indeterminate. Based on simulations in which the modulation ratio (MR = 41σ/ts) and sampling phase (?) were varied, we conclude for well-resolved peaks that the optimum precision in peak volumes in 2D separations will be obtained when the MR is between two and five, such that there are typically four to ten second dimension peaks recorded over the eight σ width of the first dimension peak. This sampling rate is similar to that suggested by the Murphy–Schure–Foley criterion. This provides an RSD of approximately 2% for the signal-to-noise ratio used in the present simulations. The precision of the peak volume of experimental data was also assessed, and RSD values were in the range of 4–5%. We conclude that the poorer precision found in the LC × LC experimental data as compared to LC may be due to experimental imprecision in sampling the effluent from the first dimension column. 相似文献
37.
The present study focuses on the evaluation of 1.0 mm i.d. (internal diameter) columns on a commercial Ultra-High Pressure system. These systems have been developed specifically to operate columns with small volumes, typically 2.1 mm i.d., by reducing extra-column volume dispersion. The use of columns with smaller i.d. results in a reduced solvent consumption and required sample volume. The evaluation of the columns was carried out with samples containing neutral and pharmaceutical compounds. In isocratic mode, the extra-column volume produced additional band broadening leading to poor performances compared to equivalent 2.1 mm i.d. columns. By increasing the length of the column, the influence of the extra-column bandspreading could be reduced and 75,000 plates were obtained when four columns were coupled. In gradient mode, the effect of the extra-column contribution on efficiency was limited and about 80% of the performance of the 2.1 mm i.d. columns was obtained. Optimum conditions in gradient mode were further investigated by changing flow rate, gradient time and column length. A different approach of the calculation of peak capacity was also considered for the comparison of the influence of these different parameters. 相似文献
38.
39.
40.
Chung-jong BongKwon-sang Ryu Seung-hoon NahmEun Kyu Kim 《Journal of magnetism and magnetic materials》2011,323(5):379-382
We present a magnetic and nondestructive method to evaluate the remanent life of modified 9Cr-1Mo steel by measuring the reversible magnetic permeability. Specimens with ten different kinds of aging periods were prepared using an isothermal heat treatment at 690 °C. The Larson-Miller parameter (LMP) was calculated and the peak interval of reversible magnetic permeability (PIRMP) was measured using the surface type probe. PIRMP was inversely proportional to LMP. We can evaluate the remanent life of modified 9Cr-1Mo steel using the relationship between PIRMP and LMP. Also, we present the possibility that the tensile strength and yield strength measured by destructive methods could be estimated by PIRMP measured nondestructively. 相似文献