Abstract: Compositions and methods of use for modulating bile acids, including phenylalanocholic acid, tyrosocholic acid and leucocholic acid, to treat diseases, such as inflammatory bowel disease. In embodiments, the invention provides pharmaceutical compositions that modulate levels of a bile acid conjugate in a subject. In embodiments, the invention provides pharmaceutical compositions that modulate levels of a bile acid conjugate in a particular organ or bodily region of the subject.

Abstract: A sampling manifold and method of use for detecting volatile compounds on a surface, such as skin, comprising an adhesive base layer and mesh defining a pouch for insertion of a removable sorbent patch.

Abstract: Compositions and methods of use for modulating bile acids, including phenylalanocholic acid, tyrosocholic acid and leucocholic acid, to treat diseases, such as inflammatory bowel disease. In embodiments, the invention provides pharmaceutical compositions that modulate levels of a bile acid conjugate in a subject. In embodiments, the invention provides pharmaceutical compositions that modulate levels of a bile acid conjugate in a particular organ or bodily region of the subject.

Abstract: Source identification for unknown molecules using mass spectral matching. In an embodiment, a representation of a query mass spectrum is received in a spectrum query. A repository is searched for the query mass spectrum by, for each of a plurality of reference mass spectra, generating a similarity score between the representation of the query mass spectrum and the representation of the reference mass spectrum, when the similarity score exceeds a predetermined threshold value, without utilizing a molecular identity of a molecule represented by the reference mass spectrum, retrieving metadata associated with the reference mass spectrum, and derive context information from the retrieved metadata, and adding the context information to consensus metadata associated with the query mass spectrum, wherein the context information indicates a source of the reference mass spectrum. The consensus metadata is then returned in response to the spectrum query.