Abstract: Disclosed herein are systems and methods for associating metabolites with genes. In some embodiments, after potential metabolites are identified based on spectroscopy data of the content of an organism, possible reactions capable of producing the potential metabolites are determined. The possible reactions are compared to gene sequences in a database, and an association score for the likelihood that a gene sequence is related to the potential metabolites is calculated.

Abstract: Disclosed herein are methods for tracking solutions, (e.g., reaction conditions in solutions). In some embodiments, the method comprises: contacting a first lanthanide-chelator complex to a first solution to generate a first barcoded solution, wherein the first lanthanide-chelator complex comprises a first lanthanide chelated by a first chelator; contacting a second lanthanide-chelator complex to a second solution to generate a second barcoded solution, wherein the second lanthanide-chelator complex comprises a second lanthanide chelated by a second chelator; mixing the first barcoded solution and the second barcoded solution to form one or more mixtures; and identifying the first lanthanide ions in the mass spectrum and the second lanthanide ions in the mass spectrum to track the condition of each of the one or more mixtures.

Abstract: Disclosed herein include systems, devices, and methods for droplet deposition for mass spectrometry. In some embodiments, a microfluidic device comprising wells is reversibly sealed to a mass spectrometry surface and used to deposit contents of droplets (e.g., enzymes and substrates), or products thereof, onto the mass spectrometry surface. The contents of droplets can be analyzed by laser desorption/ionization to, for example, identify a substrate of an enzyme or an enzyme capable of catalyzing a substrate to a product.

Abstract: Disclosed herein are methods for identifying one or more diseased cells in a subject. Some embodiments include providing a biological sample derived from a subject, analyzing the biological sample by mass spectrometry, and determining the abundance of one or more lipids in the biological sample, wherein an altered abundance of the one or more lipids in the biological sample, as compared to a reference level, indicates a presence of one or more diseased cells in the subject from which the biological sample is derived.

Abstract: Disclosed herein are methods, systems and compositions for determining substrate specificity of an enzyme. The disclosed methods, systems and compositions can be used for identifying enzymes capable of modifying substrates of interest and/or quantifying enzymatic activity.

Abstract: Disclosed herein are compositions for ionizing a target and methods for making the compositions. In some embodiments, the compositions can include a structured substrate having a plurality of upright surface features, for example, microscale or nanoscale pillars, in contact with an initiator. Also disclosed herein are methods for ionizing targets.

Abstract: Disclosed herein include systems, devices, and methods for droplet deposition for mass spectrometry. In some embodiments, a microfluidic device comprising wells is reversibly sealed to a mass spectrometry surface and used to deposit contents of droplets (e.g., enzymes and substrates), or products thereof, onto the mass spectrometry surface. The contents of droplets can be analyzed by laser desorption/ionization to, for example, identify a substrate of an enzyme or an enzyme capable of catalyzing a substrate to a product.

Abstract: A method for rapid, high throughput screening of the activities of enzymes, especially ligninases and its enzyme cocktails, using nanostructure initiator mass spectrometry (NIMS) surfaces, substrates and methodology.

Abstract: Disclosed herein are systems, methods, and devices for determining plant-microbe interactions. In some embodiments, the device comprises: a root chamber configured to allow a root of a plant to grow, wherein the root chamber is connected with: an inlet channel for introducing a medium into the root chamber, an outlet channel for collecting plant exudates and metabolites, and a plant reservoir for the plant shoot of the plant to grow.

Abstract: The disclosure herein includes compositions and methods for ionizing targets and methods for making the compositions. In some embodiments, the compositions can include a porous substrate that has been etched for a desired average pore size, a desired porosity, or both for detection of one or more targets of interest. Also disclosed herein are methods for using the composition to ionize targets.

Abstract: The present invention provides for a composition for ionizing a target comprising: a substrate comprising a plurality of nanoparticles bound to a surface of the substrate, which allows one to directly extract undesired contaminants during passive sample drying without require manual interventions, such as washing and vortexing.

Abstract: Provided herein are methods for measuring molecular flux rates of molecules of interest in a tissue sample in spatially-organized manner and generating output (e.g., an image, a heat map, a contour map, a table or a database) representing the molecular flux rates of each spatially-defined location of the sample. Provided herein are also the output, as well as systems and computer-readable medium with computer-executable instructions for determining molecular flux rates of molecules of interest in the sample.

Abstract: Disclosed herein are methods, compositions and systems for analyzing and detecting enzyme activity. For examples, methods, compositions and systems for parallel detection and analysis of enzymatic activities of enzymes in complex biological mixtures are provided.

Abstract: Disclosed herein are systems, methods, and devices for determining plant-microbe interactions. In some embodiments, the device comprises: a root chamber configured to allow a root of a plant to grow, wherein the root chamber is connected with: an inlet channel for introducing a medium into the root chamber, an outlet channel for collecting plant exudates and metabolites, and a plant reservoir for the plant shoot of the plant to grow.

Abstract: The disclosure herein includes compositions and methods for ionizing targets and methods for making the compositions. In some embodiments, the compositions can include a porous substrate that has been etched for a desired average pore size, a desired porosity, or both for detection of one or more targets of interest. Also disclosed herein are methods for using the composition to ionize targets.

Abstract: Disclosed herein are compositions for ionizing a target and methods for making the compositions. In some embodiments, the compositions can include a structured substrate having a plurality of upright surface features, for example, microscale or nanoscale pillars, in contact with an initiator. Also disclosed herein are methods for ionizing targets.

Abstract: Embodiments of business systems and data processing systems and related methods, apparatus, compositions, systems, and articles of manufacture useful for providing mass spectrographic analysis services are disclosed. In embodiments, MS analysis services may be provided to customers without exposing proprietary information of the customer to the service provider or others.

Abstract: Disclosed herein are systems and methods for associating metabolites with genes. In some embodiments, after potential metabolites are identified based on spectroscopy data of the content of an organism, possible reactions capable of producing the potential metabolites are determined. The possible reactions are compared to gene sequences in a database, and an association score for the likelihood that a gene sequence is related to the potential metabolites is calculated.

Abstract: Disclosed herein are methods, systems and compositions for determining substrate specificity of an enzyme. The disclosed methods, systems and compositions can be used for identifying enzymes capable of modifying substrates of interest and/or quantifying enzymatic activity.

Abstract: Disclosed herein are methods for tracking solutions, (e.g., reaction conditions in solutions). In some embodiments, the method comprises: contacting a first lanthanide-chelator complex to a first solution to generate a first barcoded solution, wherein the first lanthanide-chelator complex comprises a first lanthanide chelated by a first chelator; contacting a second lanthanide-chelator complex to a second solution to generate a second barcoded solution, wherein the second lanthanide-chelator complex comprises a second lanthanide chelated by a second chelator; mixing the first barcoded solution and the second barcoded solution to form one or more mixtures; and identifying the first lanthanide ions in the mass spectrum and the second lanthanide ions in the mass spectrum to track the condition of each of the one or more mixtures.