Fragmentation trees reloaded.

Untargeted metabolomics commonly uses liquid chromatography mass spectrometry to measure abundances of metabolites; subsequent tandem mass spectrometr...
3MB Sizes 3 Downloads 22 Views

Recommend Documents


Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics.
Identification of unknown metabolites is the bottleneck in advancing metabolomics, leaving interpretation of metabolomics results ambiguous. The chemical diversity of metabolism is vast, making structure identification arduous and time consuming. Cur

Metabolite identification through multiple kernel learning on fragmentation trees.
Metabolite identification from tandem mass spectrometric data is a key task in metabolomics. Various computational methods have been proposed for the identification of metabolites from tandem mass spectra. Fragmentation tree methods explore the space

Molecular Formula Identification Using Isotope Pattern Analysis and Calculation of Fragmentation Trees.
We present the results of a fully automated de novo approach for identification of molecular formulas in the CASMI 2013 contest. Only results for Category 1 (molecular formula identification) were submitted. Our approach combines isotope pattern anal

Diuretics in primary hypertension - Reloaded.
Diuretics have long been cherished as drugs of choice for uncomplicated primary hypertension. Robust mortality and morbidity data is available for diuretics to back this strategy. Off-late the interest for diuretics has waned off perhaps due to avail

ABCMdb reloaded: updates on mutations in ATP binding cassette proteins.
ABC (ATP-Binding Cassette) proteins with altered function are responsible for numerous human diseases. To aid the selection of positions and amino acids for ABC structure/function studies we have generated a database, ABCMdb (Gyimesi et al. , ABCMdb:

The Snark was a Boojum - reloaded.
In this article, we refer to an original opinion paper written by Prof. Frank Beach in 1950 ("The Snark was a Boojum"). In his manuscript, Beach explicitly criticised the field of comparative psychology because of the disparity between the original u

Epigenetics reloaded: the single-cell revolution.
Mechanistically, how epigenetic states are inherited through cellular divisions remains an important open question in the chromatin field and beyond. Defining the heritability of epigenetic states and the underlying chromatin-based mechanisms within

Oral insulin reloaded: a structured approach.
Optimal coverage of insulin needs is the paramount aim of insulin replacement therapy in patients with diabetes mellitus. To apply insulin without breaking the skin barrier by a needle and/or to allow a more physiological provision of insulin are the

Postmenopausal Motherhood Reloaded: Advanced Age and In Vitro Derived Gametes.
In this paper we look at the implications of an emerging technology for the case in favor of, or against, postmenopausal motherhood. Technologies such as in vitro derived gametes (sperm and eggs derived from nonreproductive cells) have the potential