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1.
Clauwaert K Vande Casteele S Sinnaeve B Deforce D Lambert W Van Peteghem C Van Bocxlaer J 《Rapid communications in mass spectrometry : RCM》2003,17(13):1443-1448
This article describes a simple method to perform lock mass corrected accurate mass measurements in tandem mass spectrometry (MS/MS) with a quadrupole time-of-flight (Q-TOF) mass spectrometer. The experimental approach consists of using the protonated molecule of a known compound, which is measured in a MS/MS function using low collision energy (no fragmentation), as mass calibrator. The unknown compound is acquired in MS/MS mode albeit using high collision energy. After the acquisition, the two MS/MS spectra of unknown and mass calibrator are combined, and the fragments of the unknown are lock mass corrected by using the protonated molecule of the mass calibrator. To prove this concept, 10 compounds were analyzed using this approach, the fragments interpreted and, where possible, related to structural data available in the literature. All the unequivocally assigned fragments were accurately mass measured with mass errors within appropriate limits, i.e. for m/z values <200 with a mass tolerance of 3 mDa while for m/z > 200 the mass tolerance is expressed as 10 ppm. 相似文献
2.
Eva Greibe Magnus Leth-Møller Sofie Stampe Per Ovesen Michael Pedersen Elke Hoffmann-Lücke 《Biomedical chromatography : BMC》2022,36(6):e5350
Artificial sweeteners are widely used as substitutes for sugar. The sweeteners are generally considered safe, however their whereabouts during pregnancy and lactation and the effect on child development are poorly explored. There is a need for new tools to measure these substances during pregnancy and lactation. Here, we describe the development and validation of a sensitive liquid chromatography–tandem mass spectrometry method for the simultaneous quantification of acesulfame, cyclamate, saccharin and sucralose in human plasma, umbilical cord blood, amniotic fluid and breast milk. The samples were prepared by protein precipitation and separated on a Luna Omega Polar C18 column (2.1 × 50 mm, 1.6 μm). Electrospray ionization in negative mode and multiple reaction monitoring were used to monitor the ion transitions. The validated concentration ranges were from 1 to 500 ng/ml (10–500 ng/ml for sucralose). Interassay precisions were all ≤15% and the accuracies were within ±15%. Stability, linearity, dilution integrity, carryover and recovery were also examined and satisfied the validation criteria. Finally, this analytical method was successfully applied on spiked samples of plasma, umbilical cord blood, amniotic fluid and breast milk, proving its suitability for use in clinical studies on artificial sweeteners, including during pregnancy and lactation. 相似文献
3.
A simple cryopreservation method is described for proliferating meristem cultures of banana (Musa spp.). It relies on a 2-week preculture on media containing 0.4 M sucrose followed by rapid cooling in liquid nitrogen. Different preculture media were screened for efficient protection of banana meristems against cryopreservation. Sucrose can be replaced by both fructose and glucose without significantly affecting post-thaw survival rates. A high BA concentration (0.1 mM) in the preculture medium results in less material available for cryopreservation, but does not affect cryoprotection. Culture in liquid media significantly improved post-thaw regeneration. The optimized cryopreservation protocol was applied on 36 banana accessions belonging to 8 different genomic groups. It is shown that post-thaw regeneration frequencies (ranging between 0 and 66 percent) are highly dependent on the genomic constitution of the banana cultivar. 相似文献
4.
Van Parijs SM Corkeron PJ Harvey J Hayes SA Mellinger DK Rouget PA Thompson PM Wahlberg M Kovacs KM 《The Journal of the Acoustical Society of America》2003,113(6):3403-3410
Comparative analyses of the roar vocalization of male harbor seals from ten sites throughout their distribution showed that vocal variation occurs at the oceanic, regional, population, and subpopulation level. Genetic barriers based on the physical distance between harbor seal populations present a likely explanation for some of the observed vocal variation. However, site-specific vocal variations were present between genetically mixed subpopulations in California. A tree-based classification analysis grouped Scottish populations together with eastern Pacific sites, rather than amongst Atlantic sites as would be expected if variation was based purely on genetics. Lastly, within the classification tree no individual vocal parameter was consistently responsible for consecutive splits between geographic sites. Combined, these factors suggest that site-specific variation influences the development of vocal structure in harbor seals and these factors may provide evidence for the occurrence of vocal dialects. 相似文献
5.
Herrebout WA Melikova SM Delanoye SN Rutkowski KS Shchepkin DN van der Veken BJ 《The journal of physical chemistry. A》2005,109(13):3038-3044
Mid-infrared spectra of mixed solutions in liquid xenon containing fluoroform and either ammonia or pyridine have been investigated at temperatures between 173 and 213 K. For both Lewis bases, a new band is found in the CH stretching region at a frequency approximately 5 cm(-1) higher than that of monomer fluoroform, which is assigned to a complex between fluoroform and the Lewis base. A detailed analysis of the nu1/2nu(4) Fermi resonance in the proton donor shows that the blue shifts observed for the complexes are not caused by a strengthening of the CH bond during the complexation, but are due to the changes in the Fermi resonance interactions. Information on the nu1/2nu(4) Fermi resonance was also obtained for the complexes of fluoroform with dimethyl ether and trimethyl amine. 相似文献
6.
7.
Tim De Meyer Davy Sinnaeve Bjorn Van Gasse Ernst-R Rietzschel Marc L. De Buyzere Michel R. Langlois Sofie Bekaert José C. Martins Wim Van Criekinge 《Analytical and bioanalytical chemistry》2010,398(4):1781-1790
Proton nuclear magnetic resonance (1H-NMR)-based metabolomics enables the high-resolution and high-throughput assessment of a broad spectrum of metabolites in
biofluids. Despite the straightforward character of the experimental methodology, the analysis of spectral profiles is rather
complex, particularly due to the requirement of numerous data preprocessing steps. Here, we evaluate how several of the most
common preprocessing procedures affect the subsequent univariate analyses of blood serum spectra, with a particular focus
on how the standard methods perform compared to more advanced examples. Carr–Purcell–Meiboom–Gill 1D 1H spectra were obtained for 240 serum samples from healthy subjects of the Asklepios study. We studied the impact of different
preprocessing steps—integral (standard method) and probabilistic quotient normalization; no, equidistant (standard), and adaptive-intelligent
binning; mean (standard) and maximum bin intensity data summation—on the resonance intensities of three different types of
metabolites: triglycerides, glucose, and creatinine. The effects were evaluated by correlating the differently preprocessed
NMR data with the independently measured metabolite concentrations. The analyses revealed that the standard methods performed
inferiorly and that a combination of probabilistic quotient normalization after adaptive-intelligent binning and maximum intensity
variable definition yielded the best overall results (triglycerides, R = 0.98; glucose, R = 0.76; creatinine, R = 0.70). Therefore, at least in the case of serum metabolomics, these or equivalent methods should be preferred above the
standard preprocessing methods, particularly for univariate analyses. Additional optimization of the normalization procedure
might further improve the analyses. 相似文献
8.
Coensel BD Vanwetswinkel S Botteldooren D 《The Journal of the Acoustical Society of America》2011,129(4):EL148-EL153
Recent studies show that introducing sound from water features in urban open spaces may reduce the loudness of road traffic noise, but it is not clear in which situations this measure also improves overall soundscape quality. This work describes a listening experiment on loudness, pleasantness, and eventfulness of stimuli that combine road traffic noise with fountain or bird sound at different sound levels. Adding fountain sound reduced the loudness of road traffic noise only if the latter had low temporal variability. Conversely, adding bird sound significantly enhanced soundscape pleasantness and eventfulness, more than what was achieved by adding fountain sound. 相似文献
9.
Evelyne Van Houtte Sofie Claeys Floris Wuyts Kristiane Van Lierde 《Journal of voice》2011,25(5):570-575
Objectives
Teachers are at increased risk for developing voice disorders. Occupational risk factors have been extensively examined; however, little attention has been paid to the consequences of the vocal complaints. The objective of this study was to investigate the knowledge that teachers have about vocal care, treatment-seeking behavior, and voice-related absenteeism.Methods
The study group comprised 994 teachers and 290 controls whose jobs did not involve vocal effort. All participants completed a questionnaire inquiring about vocal complaints, treatment-seeking behavior, voice-related absenteeism, and knowledge about vocal care. Comparisons were made between teachers with and without vocal complaints and with the control group.Results
Teachers reported significantly more voice problems than the control population (51.2% vs 27.4%) (χ2 = 50.45, df = 1, P < 0.001). Female teachers reported significantly higher levels of voice disorders than their male colleagues (38% vs 13.2%, χ2 = 22.34, df = 1, P < 0.001). Teachers (25.4%) sought medical care and eventually 20.6% had missed at least 1 day of work because of voice problems. Female teachers were significantly more likely to seek medical help (χ2 = 7.24, df = 1, P = 0.007) and to stay at home (χ2 = 7.10, df = 1, P = 0.008) in comparison with their male colleagues. Only 13.5% of all teachers received information during their education.Conclusions
Voice disorders have an impact on teachers' personal and professional life and imply a major financial burden for society. A substantial number of teachers needed medical help and was obligated to stay at home because of voice problems. This study strongly recommends the implementation of vocal education during the training of teacher students to prepare the vocal professional user. 相似文献10.
Structure‐activity relationships of 46 P450 2A6 inhibitors were analyzed using the 3D‐QSAR methodology. The analysis was carried out to confront the use of traditional steric and electrostatic fields with that of a number of fields reflecting conceptual DFT properties: electron density, HOMO, LUMO, and Fukui f− function as 3D fields. The most predictive models were obtained by combining the information of the electron density with the Fukui f− function (r2 = 0.82, q2 = 0.72), yielding a statistically significant and predictive model. The generated model was able to predict the inhibition potencies of an external test set of five chemicals. The result of the analysis indicates that conceptual DFT‐based molecular fields can be useful as 3D QSAR molecular interaction fields. © 2008 Wiley Periodicals, Inc. J Comput Chem 2009 相似文献