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.

Transverse-momentum and pseudorapidity distributions of charged hadrons in pp collisions at root s=0.9 and 2.36 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Single-Particle Momentum Distributions for Bosonic Trimer States in Two and Three Dimensions

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

Linkage disequilibrium levels in Bos indicus and Bos taurus cattle using medium and high density SNP chip data and different minor allele frequency distributions

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Studies of dijet transverse momentum balance and pseudorapidity distributions in pPb collisions at root s(NN)=5.02 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Measurement of jet multiplicity distributions in t(t)over-bar production in pp collisions at root s=7TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Search for quark contact interactions and extra spatial dimensions using dijet angular distributions in proton–proton collisions at √s = 8 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Oil-in-water biocompatible microemulsion as a carrier for the antitumor drug compound methyl dihydrojasmonate

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Fenton-like processes and adsorption using iron oxide-pillared clay with magnetic properties for organic compound mitigation

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Measurement of pseudorapidity distributions of charged particles in proton-proton collisions at root s=8 TeV by the CMS and TOTEM experiments

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Effectiveness of the compound chlorpyrifos plus cypermethrin plus citronellal against Alphitobius diaperinus. Laboratory analysis and residue determination in carcasses

Biological security and the absence of residues in meat Effectiveness, and/or eggs must be considered when recommending options for the control Alphitobius diaperinus in poultry production environments. This research study evaluated the effectiveness of cypermethrin+chlorpyrifos+citronellal in the control of A. diaperinus, including analysis for the presence of residues of this compound in poultry carcasses (experimental farm). Two studies were carried out under laboratory conditions. One used paper filters a four dilutions of the compound, and the other used a container including with pulverized broiler litter and the compound. The analysis of carcasses for residues was conducted in broilers that raised in a broiler house treated (floor and/or litter) with the compound at a dilution of 1:800. Birds were regularly sacrificed, submitted to necropsy, and liver, muscle and fat fragments were collected. Gas chromatography was used to identify the possible presence of any chemical residue in these samples. High effectiveness rates against A.diaperinus were observed in the two laboratory studies, as well as the absence of residues in the carcasses. This compound, can be recommended as a valuable used in the studied concentrations, alternative for the control and treatment of A. diaperinus.

Anthocyanin incorporated dental copolymer: bacterial growth inhibition, mechanical properties, and compound release rates and stability by (1)h NMR

Objective. To evaluate bacterial growth inhibition, mechanical properties, and compound release rate and stability of copolymers incorporated with anthocyanin (ACY; Vaccinium macrocarpon). Methods. Resin samples were prepared (Bis-GMA/TEGDMA at 70/30 mol%) and incorporated with 2 w/w% of either ACY or chlorhexidine (CHX), except for the control group. Samples were individually immersed in a bacterial culture (Streptococcus mutans) for 24 h. Cell viability (n = 3) was assessed by counting the number of colony forming units on replica agar plates. Flexural strength (FS) and elastic modulus (E) were tested on a universal testing machine (n = 8). Compound release and chemical stability were evaluated by UV spectrophotometry and (1)H NMR (n = 3). Data were analyzed by one-way ANOVA and Tukey's test ( α = 0.05). Results. Both compounds inhibited S. mutans growth, with CHX being most effective (P < 0.05). Control resin had the lowest FS and E values, followed by ACY and CHX, with statistical difference between control and CHX groups for both mechanical properties (P < 0.05). The 24 h compound release rates were ACY: 1.33 μg/mL and CHX: 1.92 μg/mL. (1)H NMR spectra suggests that both compounds remained stable after being released in water. Conclusion. The present findings indicate that anthocyanins might be used as a natural antibacterial agent in resin based materials.

Impacted permanent incisors associated with compound odontoma

Odontomas are the most common odontogenic tumours of the maxillary bones, characterised by a slow growth and benign behaviour. They are usually small, asymptomatic and diagnosed after routine radiographic examination. The aim of this study was to report a case of a compound odontoma in the anterior maxilla of a 7-year-old girl, which was causing the impaction of the maxillary right central and lateral incisors, as well as the prolonged retention of the corresponding primary teeth. We also aimed to review the literature about these tumours, since they are not part of the dentist's day-to-day clinical practice. The clinical and radiographic features, the diagnosis and treatment of the case were discussed in this work.