RAMSY: Ratio Analysis of Mass Spectrometry to Improve Compound Identification

The complexity of biological samples poses a major challenge for reliable compound identification in mass spectrometry (MS). The presence of interfering compounds that cause additional peaks in the spectrum can make interpretation and assignment difficult. To overcome this issue, new approaches are needed to reduce complexity and simplify spectral interpretation. Recently, focused on unknown metabolite identification, we presented a new approach, RANSY (ratio analysis of nuclear magnetic resonance spectroscopy; Anal. Chem. 2011, 83, 7616-7623), which extracts the signals related to the same metabolite based on peak intensity ratios. On the basis of this concept, we present the ratio analysis of mass spectrometry (RAMSY) method, which facilitates improved compound identification in complex MS spectra. RAMSY works on the principle that, under a given set of experimental conditions, the abundance/intensity ratios between the mass fragments from the same metabolite are relatively constant. Therefore, the quotients of average peak ratios and their standard deviations, generated using a small set of MS spectra from the same ion chromatogram, efficiently allow the statistical recovery of the metabolite peaks and facilitate reliable identification. RAMSY was applied to both gas chromatography/MS and liquid chromatography tandem MS (LC-MS/MS) data to demonstrate its utility. The performance of RAMSY is typically better than the results from correlation methods. RAMSY promises to improve unknown metabolite identification for MS users in metabolomics or other fields.

Nonmesonic weak decay dynamics from proton spectra of Lambda-hypernuclei

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Analysis of experimental tendinitis in rats treated with laser and platelet-rich plasma therapies by Raman spectroscopy and histometry

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Temperature Dependent Luminescence Spectra of Synthetic and Natural Alexandrite

Results of photoluminescence measurements for natural and synthetic alexandrite (BeAl2O4:Cr3+) are presented, where the samples are excited by the 488 nm line of an Ar+ laser, at different temperatures. The main issue is the analysis of the Cr3+ transition in the chrysoberyl matrix (BeAl2O4), with major technological application as active media for laser action. Results indicate anomalous behavior of Cr3+ transition depending on the measurement temperature. A simple model to explain the phenomena is suggested.

Bond strength and Raman analysis of the zirconia-feldspathic porcelain interface

The test groups were experimental zirconia, Zirkonzahn zirconia, and Schuetz zirconia. Blocks of partially sintered zirconia were cut into disks (n=20) and then veneered with a feldspathic porcelain. Half of the specimens from each group (n=10) were incubated in 37°C water for 24 hours, and the other half were thermocycled. All the specimens were then subjected to shear testing. The fractured areas were analyzed with optical stereomicroscopy and classified as adhesive, cohesive, or an adhesive-cohesive failure. Spectral patterns were examined to detect bands related to the zirconia and feldspathic porcelain phases. The shear strength data were submitted to 2-way ANOVA. Results No significant differences in shear bond strength were observed among the 3 groups, regardless of whether or not the specimens were thermocycled. Adhesive failures were the most prevalent types of failure (70%). Raman spectra were clearly distinguished for all the materials, which showed the presence of tetragonal and monoclinic phases. Conclusions The controlled production of the experimental zirconia did not influence the results of the bond strength. Raman analysis suggested a process of interdiffusion by the presence of peaks associated with the zirconia and feldspathic ceramics.