Sulfonyl-triazole compounds and related sulfonyl-heterocycle compounds are described. The compounds can be used to identify reactive nucleophilic amino acid residues, such as reactive tyrosines and reactive lysines, in proteins and to modify the activity of proteins with reactive nucleophilic amino acid residues via the formation of protein adducts comprising a fragment of the compounds. Methods are also described for screening the compounds to identify ligands of proteins comprising a reactive lysine or a reactive tyrosine.

The claimed invention provides real-time and subsequent analysis personalized user based caradiac health and wellness detection information utilizing novel cardiac health markers including Troponin as well as TMAO. Non-invasive techniques utilize saliva for body levels of cardiac wellness indicators as well as pharmaceutical ingestion which are coordinated over time. Saliva captured on sample strips are real-time indicator reviewed and subsequently analyzed using traditional analytical chemistry techniques including liquid chromatography/mass spectrometry (LC/MS) and coordinated with time of administration with optional genetic sequence analysis to confirm related cardiac disease conditions. By using P4 (Participatory, Personalized, Predictive, and Preventive) health management techniques the patient determines if the pharmaceutical is having the correct and desired effect for maximum therapeutic benefit. While illustrative embodiments detecting TMAO and Troponin are provided the system has broad cardiac wellness monitoring applicability.

The present invention discloses a method for the identification and absolute quantification of peptide based impurities in a protein/antibody composition using high resolution mass spectrometry. The method utilizes synthetic peptides for plotting a standard calibration curve which is, in turn, used for the absolute quantification of the impurities. In particular, the method is utilized for quantification of signal peptide remnants in heterogeneous unpurified or partially purified protein samples, comprising a complex mixture of proteins, with high sensitivity using unlabeled synthetic peptides.

The present invention provides assays and assay systems for use in spatially encoded biological assays. The invention provides an assay system comprising an assay capable of high levels of multiplexing where reagents are provided to a biological sample in defined spatial patterns; instrumentation capable of controlled delivery of reagents according to the spatial patterns; and a decoding scheme providing a readout that is digital in nature.

A method, mass spectrometer and computer readable medium for acquiring mass spectral data in raw profile; detecting presence of compounds and relevant time window; performing multivariate statistical analysis of raw profile data in a time window to determine compounds; obtaining separation time profiles for detected compounds containing respective time locations in a time window; and computing pure mass spectra for compounds based on separation time profiles or time locations. A method, mass spectrometer and computer readable medium for acquiring mass spectral data in raw profile of a known and unknown sample; combining mass spectral scans for a sample into a single mass spectrum across a separation time window; performing multivariate statistical analysis of the acquired mass spectral data and computing a distance measure between the known and unknown sample; and using the distance measure as an indication for an unknown sample belonging to a known sample or sample group.

The present invention provides assays and assay systems for use in spatially encoded biological assays. The invention provides an assay system comprising an assay capable of high levels of multiplexing where reagents are provided to a biological sample in defined spatial patterns; instrumentation capable of controlled delivery of reagents according to the spatial patterns; and a decoding scheme providing a readout that is digital in nature.

The present invention relates to biomarkers capable of diagnosing various brain and nervous system diseases, and a method of providing information for diagnosing brain and nervous system diseases using the same. According to the present invention, it is possible to diagnose, at an early stage, the onset of a brain and nervous system disease or the likelihood of developing the disease or diagnose the progress or prognosis of the disease or the therapeutic effect against the disease, by measuring the expression level of the biomarker protein of the present invention or a gene encoding the same in the aqueous humor of the eye.

The present invention provides assays and assay systems for use in spatially encoded biological assays. The invention provides an assay system comprising an assay capable of high levels of multiplexing where reagents are provided to a biological sample in defined spatial patterns; instrumentation capable of controlled delivery of reagents according to the spatial patterns; and a decoding scheme providing a readout that is digital in nature.

Methods and systems for improved sample detection in mass spectroscopy are generally described. These are particularly useful, for example, for identifying a protein, a part of a protein, or a peptide when present in a low amount. In some embodiments, these can be useful to allow high-throughput proteomics studies for many samples, e.g., in series or in tandem. For example, certain embodiments are directed to novel approaches for identification of samples at the MS 1 level. In some cases, these improvements can be realized due to improvements in mass spectrometry instrumentation to better than the 1 ppm level for m/z measurements. Examples of improvements include, but are not limited to, improving internal mass standards, super-resolution peak fitting, isotopic labelling, Edman degradation and/or chromatography for proteins or peptides, and/or machine learning to predict peptide behavior, e.g., when exposed to such improvements.

The present invention relates to a method for diagnosing the severity of rheumatoid arthritis using metabolite analysis. The present invention provides a biomarker which is for classifying the severity of rheumatoid arthritis in patients suffering from same through the analysis of joint capsule fluid metabolites, and can be applied to a kit for more specifically classifying the severity of rheumatoid arthritis in patients.